2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine

C251H474F16N30O30 — CID 158803822

IUPAC2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine
SMILESCC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)NCC(F)(F)COC(C)(C)C.CC(C)(C)NCC(F)(F)COc1ccc(C(C)(C)C)nc1.CC(C)(C)NCC(F)(F)COc1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)NCCOCCOC(C)(C)C.CC(C)(C)NCCOCCOCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCC(F)(F)COC(C)(C)C.CC(C)(C)OCC(F)(F)COc1ccc(C(C)(C)C)nc1.CC(C)(C)OCC(F)(F)COc1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCCN1CCN(CCCCOCC(F)(F)COC(C)(C)C)CC1.CC(C)NCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)OCCN1CCN(c2ccc(OCC(F)(F)CNC(C)(C)C)cn2)CC1.CC(C)OCCOCCOC(C)(C)C.CC(C)OCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)Oc1ccc(CCC(C)(C)C)cn1
InChIInChI=1S/C22H39N3O.C21H36F2N4O2.C21H42F2N2O3.C20H34F2N4O.C20H33F2N3O2.C19H41N3O3.C19H40N2O4.C18H39N3O2.C16H26F2N2O.C16H25F2NO2.C14H23NO.C12H27NO2.C11H23F2NO.C11H22F2O2.C11H24O3/c1-21(2,3)11-10-19-8-9-20(23-18-19)26-17-7-12-24-13-15-25(16-14-24)22(4,5)6;1-17(2)28-13-12-26-8-10-27(11-9-26)19-7-6-18(14-24-19)29-16-21(22,23)15-25-20(3,4)5;1-19(2,3)27-16-14-25-12-10-24(11-13-25)9-7-8-15-26-17-21(22,23)18-28-20(4,5)6;1-18(2,3)24-14-20(21,22)15-27-16-7-8-17(23-13-16)25-9-11-26(12-10-25)19(4,5)6;1-18(2,3)25-11-9-24(10-12-25)17-8-7-16(13-23-17)26-14-20(21,22)15-27-19(4,5)6;1-18(2)20-6-13-23-16-17-24-14-11-21-7-9-22(10-8-21)12-15-25-19(3,4)5;1-18(2)24-17-16-23-15-14-22-12-10-20-6-8-21(9-7-20)11-13-25-19(3,4)5;1-17(2,3)19-7-13-22-15-16-23-14-12-20-8-10-21(11-9-20)18(4,5)6;1-14(2,3)13-8-7-12(9-19-13)21-11-16(17,18)10-20-15(4,5)6;1-14(2,3)13-8-7-12(9-19-13)20-10-16(17,18)11-21-15(4,5)6;1-11(2)16-13-7-6-12(10-15-13)8-9-14(3,4)5;1-11(2,3)13-7-8-14-9-10-15-12(4,5)6;2*1-9(2,3)14-7-11(12,13)8-15-10(4,5)6;1-10(2)13-8-6-12-7-9-14-11(3,4)5/h8-9,18H,7,10-17H2,1-6H3;6-7,14,17,25H,8-13,15-16H2,1-5H3;7-18H2,1-6H3;7-8,13,24H,9-12,14-15H2,1-6H3;7-8,13H,9-12,14-15H2,1-6H3;18,20H,6-17H2,1-5H3;18H,6-17H2,1-5H3;19H,7-16H2,1-6H3;7-9,20H,10-11H2,1-6H3;7-9H,10-11H2,1-6H3;6-7,10-11H,8-9H2,1-5H3;13H,7-10H2,1-6H3;14H,7-8H2,1-6H3;7-8H2,1-6H3;10H,6-9H2,1-5H3
InChIKeyITUZOJYARVPTAT-UHFFFAOYSA-N
MW4696.70 g/mol
LogP45.69
Rot. Bonds111

About 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine

2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine (PubChem CID 158803822) has the molecular formula C251H474F16N30O30 and a molecular weight of 4696.70 g/mol. Its IUPAC name is 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine
PubChem CID158803822
Molecular FormulaC251H474F16N30O30
Molecular Weight4696.70 g/mol
Exact Mass4693.62
IUPAC Name2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine
SMILESCC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)NCC(F)(F)COC(C)(C)C.CC(C)(C)NCC(F)(F)COc1ccc(C(C)(C)C)nc1.CC(C)(C)NCC(F)(F)COc1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)NCCOCCOC(C)(C)C.CC(C)(C)NCCOCCOCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCC(F)(F)COC(C)(C)C.CC(C)(C)OCC(F)(F)COc1ccc(C(C)(C)C)nc1.CC(C)(C)OCC(F)(F)COc1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCCN1CCN(CCCCOCC(F)(F)COC(C)(C)C)CC1.CC(C)NCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)OCCN1CCN(c2ccc(OCC(F)(F)CNC(C)(C)C)cn2)CC1.CC(C)OCCOCCOC(C)(C)C.CC(C)OCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)Oc1ccc(CCC(C)(C)C)cn1
InChIInChI=1S/C22H39N3O.C21H36F2N4O2.C21H42F2N2O3.C20H34F2N4O.C20H33F2N3O2.C19H41N3O3.C19H40N2O4.C18H39N3O2.C16H26F2N2O.C16H25F2NO2.C14H23NO.C12H27NO2.C11H23F2NO.C11H22F2O2.C11H24O3/c1-21(2,3)11-10-19-8-9-20(23-18-19)26-17-7-12-24-13-15-25(16-14-24)22(4,5)6;1-17(2)28-13-12-26-8-10-27(11-9-26)19-7-6-18(14-24-19)29-16-21(22,23)15-25-20(3,4)5;1-19(2,3)27-16-14-25-12-10-24(11-13-25)9-7-8-15-26-17-21(22,23)18-28-20(4,5)6;1-18(2,3)24-14-20(21,22)15-27-16-7-8-17(23-13-16)25-9-11-26(12-10-25)19(4,5)6;1-18(2,3)25-11-9-24(10-12-25)17-8-7-16(13-23-17)26-14-20(21,22)15-27-19(4,5)6;1-18(2)20-6-13-23-16-17-24-14-11-21-7-9-22(10-8-21)12-15-25-19(3,4)5;1-18(2)24-17-16-23-15-14-22-12-10-20-6-8-21(9-7-20)11-13-25-19(3,4)5;1-17(2,3)19-7-13-22-15-16-23-14-12-20-8-10-21(11-9-20)18(4,5)6;1-14(2,3)13-8-7-12(9-19-13)21-11-16(17,18)10-20-15(4,5)6;1-14(2,3)13-8-7-12(9-19-13)20-10-16(17,18)11-21-15(4,5)6;1-11(2)16-13-7-6-12(10-15-13)8-9-14(3,4)5;1-11(2,3)13-7-8-14-9-10-15-12(4,5)6;2*1-9(2,3)14-7-11(12,13)8-15-10(4,5)6;1-10(2)13-8-6-12-7-9-14-11(3,4)5/h8-9,18H,7,10-17H2,1-6H3;6-7,14,17,25H,8-13,15-16H2,1-5H3;7-18H2,1-6H3;7-8,13,24H,9-12,14-15H2,1-6H3;7-8,13H,9-12,14-15H2,1-6H3;18,20H,6-17H2,1-5H3;18H,6-17H2,1-5H3;19H,7-16H2,1-6H3;7-9,20H,10-11H2,1-6H3;7-9H,10-11H2,1-6H3;6-7,10-11H,8-9H2,1-5H3;13H,7-10H2,1-6H3;14H,7-8H2,1-6H3;7-8H2,1-6H3;10H,6-9H2,1-5H3
InChIKeyITUZOJYARVPTAT-UHFFFAOYSA-N
XLogP45.69
TPSA503.18 Ų
H-Bond Donors7
H-Bond Acceptors60
Rotatable Bonds111
Heavy Atoms327
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004696.70
LogP ≤ 545.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1060

Analyze 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine with MolForge

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What is the IUPAC name of 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine?
The IUPAC name of 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine (CID 158803822) is 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine.
What is the SMILES notation for 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine?
The canonical SMILES for 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine is CC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)NCC(F)(F)COC(C)(C)C.CC(C)(C)NCC(F)(F)COc1ccc(C(C)(C)C)nc1.CC(C)(C)NCC(F)(F)COc1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)NCCOCCOC(C)(C)C.CC(C)(C)NCCOCCOCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCC(F)(F)COC(C)(C)C.CC(C)(C)OCC(F)(F)COc1ccc(C(C)(C)C)nc1.CC(C)(C)OCC(F)(F)COc1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCCN1CCN(CCCCOCC(F)(F)COC(C)(C)C)CC1.CC(C)NCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)OCCN1CCN(c2ccc(OCC(F)(F)CNC(C)(C)C)cn2)CC1.CC(C)OCCOCCOC(C)(C)C.CC(C)OCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)Oc1ccc(CCC(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine?
The InChIKey is ITUZOJYARVPTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O.C21H36F2N4O2.C21H42F2N2O3.C20H34F2N4O.C20H33F2N3O2.C19H41N3O3.C19H40N2O4.C18H39N3O2.C16H26F2N2O.C16H25F2NO2.C14H23NO.C12H27NO2.C11H23F2NO.C11H22F2O2.C11H24O3/c1-21(2,3)11-10-19-8-9-20(23-18-19)26-17-7-12-24-13-15-25(16-14-24)22(4,5)6;1-17(2)28-13-12-26-8-10-27(11-9-26)19-7-6-18(14-24-19)29-16-21(22,23)15-25-20(3,4)5;1-19(2,3)27-16-14-25-12-10-24(11-13-25)9-7-8-15-26-17-21(22,23)18-28-20(4,5)6;1-18(2,3)24-14-20(21,22)15-27-16-7-8-17(23-13-16)25-9-11-26(12-10-25)19(4,5)6;1-18(2,3)25-11-9-24(10-12-25)17-8-7-16(13-23-17)26-14-20(21,22)15-27-19(4,5)6;1-18(2)20-6-13-23-16-17-24-14-11-21-7-9-22(10-8-21)12-15-25-19(3,4)5;1-18(2)24-17-16-23-15-14-22-12-10-20-6-8-21(9-7-20)11-13-25-19(3,4)5;1-17(2,3)19-7-13-22-15-16-23-14-12-20-8-10-21(11-9-20)18(4,5)6;1-14(2,3)13-8-7-12(9-19-13)21-11-16(17,18)10-20-15(4,5)6;1-14(2,3)13-8-7-12(9-19-13)20-10-16(17,18)11-21-15(4,5)6;1-11(2)16-13-7-6-12(10-15-13)8-9-14(3,4)5;1-11(2,3)13-7-8-14-9-10-15-12(4,5)6;2*1-9(2,3)14-7-11(12,13)8-15-10(4,5)6;1-10(2)13-8-6-12-7-9-14-11(3,4)5/h8-9,18H,7,10-17H2,1-6H3;6-7,14,17,25H,8-13,15-16H2,1-5H3;7-18H2,1-6H3;7-8,13,24H,9-12,14-15H2,1-6H3;7-8,13H,9-12,14-15H2,1-6H3;18,20H,6-17H2,1-5H3;18H,6-17H2,1-5H3;19H,7-16H2,1-6H3;7-9,20H,10-11H2,1-6H3;7-9H,10-11H2,1-6H3;6-7,10-11H,8-9H2,1-5H3;13H,7-10H2,1-6H3;14H,7-8H2,1-6H3;7-8H2,1-6H3;10H,6-9H2,1-5H3.
What are the key properties of 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine?
2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine has a molecular weight of 4696.70 g/mol, XLogP of 45.69, 111 rotatable bonds, 7 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine is sourced from PubChem (CID 158803822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).