7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane

C255H520F3N23O23 — CID 161431278

IUPAC7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane
SMILESCC(C)(C)CCC1CCN(CCOC(C)(C)C)C1.CC(C)(C)CCCCOC(C)(C)C.CC(C)(C)CCCCOCCCOC(C)(C)C.CC(C)(C)CCN1CC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CCN1CCCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)N1CCN(C2CC3(CCN(C(C)(C)C)CC3)C2)CC1.CC(C)(C)OC(CCN1CCN(C(C)(C)C)CC1)C(F)(F)F.CC(C)(C)OC1CCC2CCC(N3CCN(C(C)(C)C)CC3)CC2C1.CC(C)(C)OCCCN1CCN2CCN(C(C)(C)C)CC2C1.CC(C)(C)OCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOCCCOCCCOC(C)(C)C.CC(C)(C)OCc1ccc(CN2CCN(C(C)(C)C)CC2)nn1
InChIInChI=1S/C22H42N2O.C21H43N3.C20H39N3.C20H42O5.C18H32N4O.C18H37N3O.C18H37N3.C17H36N2O.C17H36O4.C16H31F3N2O.C16H33NO.C15H32O2.C14H30O3.C12H26O.C11H24O2/c1-21(2,3)24-13-11-23(12-14-24)19-9-7-17-8-10-20(16-18(17)15-19)25-22(4,5)6;1-20(2,3)10-15-22-11-7-12-23(17-16-22)18-19-8-13-24(14-9-19)21(4,5)6;1-18(2,3)22-9-7-20(8-10-22)15-17(16-20)21-11-13-23(14-12-21)19(4,5)6;1-19(2,3)24-17-9-15-22-13-7-11-21-12-8-14-23-16-10-18-25-20(4,5)6;1-17(2,3)22-11-9-21(10-12-22)13-15-7-8-16(20-19-15)14-23-18(4,5)6;1-17(2,3)21-12-11-20-10-9-19(14-16(20)15-21)8-7-13-22-18(4,5)6;1-17(2,3)7-8-20-14-16(15-20)13-19-9-11-21(12-10-19)18(4,5)6;1-16(2,3)8-11-18-9-7-10-19(13-12-18)14-15-20-17(4,5)6;1-16(2,3)20-14-8-12-18-10-7-11-19-13-9-15-21-17(4,5)6;1-14(2,3)21-11-9-20(10-12-21)8-7-13(16(17,18)19)22-15(4,5)6;1-15(2,3)9-7-14-8-10-17(13-14)11-12-18-16(4,5)6;1-14(2,3)10-7-8-11-16-12-9-13-17-15(4,5)6;1-13(2,3)16-11-7-9-15-10-8-12-17-14(4,5)6;1-11(2,3)9-7-8-10-13-12(4,5)6;1-10(2,3)12-8-7-9-13-11(4,5)6/h17-20H,7-16H2,1-6H3;19H,7-18H2,1-6H3;17H,7-16H2,1-6H3;7-18H2,1-6H3;7-8H,9-14H2,1-6H3;16H,7-15H2,1-6H3;16H,7-15H2,1-6H3;7-15H2,1-6H3;7-15H2,1-6H3;13H,7-12H2,1-6H3;14H,7-13H2,1-6H3;7-13H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3;7-9H2,1-6H3
InChIKeyVYAUVIZZNVMGOJ-UHFFFAOYSA-N
MW4334.10 g/mol
LogP53.35
Rot. Bonds85

About 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane

7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane (PubChem CID 161431278) has the molecular formula C255H520F3N23O23 and a molecular weight of 4334.10 g/mol. Its IUPAC name is 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane.

Molecular Properties

Compound Name7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane
PubChem CID161431278
Molecular FormulaC255H520F3N23O23
Molecular Weight4334.10 g/mol
Exact Mass4331.02
IUPAC Name7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane
SMILESCC(C)(C)CCC1CCN(CCOC(C)(C)C)C1.CC(C)(C)CCCCOC(C)(C)C.CC(C)(C)CCCCOCCCOC(C)(C)C.CC(C)(C)CCN1CC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CCN1CCCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)N1CCN(C2CC3(CCN(C(C)(C)C)CC3)C2)CC1.CC(C)(C)OC(CCN1CCN(C(C)(C)C)CC1)C(F)(F)F.CC(C)(C)OC1CCC2CCC(N3CCN(C(C)(C)C)CC3)CC2C1.CC(C)(C)OCCCN1CCN2CCN(C(C)(C)C)CC2C1.CC(C)(C)OCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOCCCOCCCOC(C)(C)C.CC(C)(C)OCc1ccc(CN2CCN(C(C)(C)C)CC2)nn1
InChIInChI=1S/C22H42N2O.C21H43N3.C20H39N3.C20H42O5.C18H32N4O.C18H37N3O.C18H37N3.C17H36N2O.C17H36O4.C16H31F3N2O.C16H33NO.C15H32O2.C14H30O3.C12H26O.C11H24O2/c1-21(2,3)24-13-11-23(12-14-24)19-9-7-17-8-10-20(16-18(17)15-19)25-22(4,5)6;1-20(2,3)10-15-22-11-7-12-23(17-16-22)18-19-8-13-24(14-9-19)21(4,5)6;1-18(2,3)22-9-7-20(8-10-22)15-17(16-20)21-11-13-23(14-12-21)19(4,5)6;1-19(2,3)24-17-9-15-22-13-7-11-21-12-8-14-23-16-10-18-25-20(4,5)6;1-17(2,3)22-11-9-21(10-12-22)13-15-7-8-16(20-19-15)14-23-18(4,5)6;1-17(2,3)21-12-11-20-10-9-19(14-16(20)15-21)8-7-13-22-18(4,5)6;1-17(2,3)7-8-20-14-16(15-20)13-19-9-11-21(12-10-19)18(4,5)6;1-16(2,3)8-11-18-9-7-10-19(13-12-18)14-15-20-17(4,5)6;1-16(2,3)20-14-8-12-18-10-7-11-19-13-9-15-21-17(4,5)6;1-14(2,3)21-11-9-20(10-12-21)8-7-13(16(17,18)19)22-15(4,5)6;1-15(2,3)9-7-14-8-10-17(13-14)11-12-18-16(4,5)6;1-14(2,3)10-7-8-11-16-12-9-13-17-15(4,5)6;1-13(2,3)16-11-7-9-15-10-8-12-17-14(4,5)6;1-11(2,3)9-7-8-10-13-12(4,5)6;1-10(2,3)12-8-7-9-13-11(4,5)6/h17-20H,7-16H2,1-6H3;19H,7-18H2,1-6H3;17H,7-16H2,1-6H3;7-18H2,1-6H3;7-8H,9-14H2,1-6H3;16H,7-15H2,1-6H3;16H,7-15H2,1-6H3;7-15H2,1-6H3;7-15H2,1-6H3;13H,7-12H2,1-6H3;14H,7-13H2,1-6H3;7-13H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3;7-9H2,1-6H3
InChIKeyVYAUVIZZNVMGOJ-UHFFFAOYSA-N
XLogP53.35
TPSA306.11 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds85
Heavy Atoms304
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004334.10
LogP ≤ 553.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane?
The IUPAC name of 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane (CID 161431278) is 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane.
What is the SMILES notation for 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane?
The canonical SMILES for 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane is CC(C)(C)CCC1CCN(CCOC(C)(C)C)C1.CC(C)(C)CCCCOC(C)(C)C.CC(C)(C)CCCCOCCCOC(C)(C)C.CC(C)(C)CCN1CC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CCN1CCCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)N1CCN(C2CC3(CCN(C(C)(C)C)CC3)C2)CC1.CC(C)(C)OC(CCN1CCN(C(C)(C)C)CC1)C(F)(F)F.CC(C)(C)OC1CCC2CCC(N3CCN(C(C)(C)C)CC3)CC2C1.CC(C)(C)OCCCN1CCN2CCN(C(C)(C)C)CC2C1.CC(C)(C)OCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOCCCOCCCOC(C)(C)C.CC(C)(C)OCc1ccc(CN2CCN(C(C)(C)C)CC2)nn1.
What is the InChIKey of 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane?
The InChIKey is VYAUVIZZNVMGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O.C21H43N3.C20H39N3.C20H42O5.C18H32N4O.C18H37N3O.C18H37N3.C17H36N2O.C17H36O4.C16H31F3N2O.C16H33NO.C15H32O2.C14H30O3.C12H26O.C11H24O2/c1-21(2,3)24-13-11-23(12-14-24)19-9-7-17-8-10-20(16-18(17)15-19)25-22(4,5)6;1-20(2,3)10-15-22-11-7-12-23(17-16-22)18-19-8-13-24(14-9-19)21(4,5)6;1-18(2,3)22-9-7-20(8-10-22)15-17(16-20)21-11-13-23(14-12-21)19(4,5)6;1-19(2,3)24-17-9-15-22-13-7-11-21-12-8-14-23-16-10-18-25-20(4,5)6;1-17(2,3)22-11-9-21(10-12-22)13-15-7-8-16(20-19-15)14-23-18(4,5)6;1-17(2,3)21-12-11-20-10-9-19(14-16(20)15-21)8-7-13-22-18(4,5)6;1-17(2,3)7-8-20-14-16(15-20)13-19-9-11-21(12-10-19)18(4,5)6;1-16(2,3)8-11-18-9-7-10-19(13-12-18)14-15-20-17(4,5)6;1-16(2,3)20-14-8-12-18-10-7-11-19-13-9-15-21-17(4,5)6;1-14(2,3)21-11-9-20(10-12-21)8-7-13(16(17,18)19)22-15(4,5)6;1-15(2,3)9-7-14-8-10-17(13-14)11-12-18-16(4,5)6;1-14(2,3)10-7-8-11-16-12-9-13-17-15(4,5)6;1-13(2,3)16-11-7-9-15-10-8-12-17-14(4,5)6;1-11(2,3)9-7-8-10-13-12(4,5)6;1-10(2,3)12-8-7-9-13-11(4,5)6/h17-20H,7-16H2,1-6H3;19H,7-18H2,1-6H3;17H,7-16H2,1-6H3;7-18H2,1-6H3;7-8H,9-14H2,1-6H3;16H,7-15H2,1-6H3;16H,7-15H2,1-6H3;7-15H2,1-6H3;7-15H2,1-6H3;13H,7-12H2,1-6H3;14H,7-13H2,1-6H3;7-13H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3;7-9H2,1-6H3.
What are the key properties of 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane?
7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane has a molecular weight of 4334.10 g/mol, XLogP of 53.35, 85 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane is sourced from PubChem (CID 161431278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).