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

C214H408F2N26O24 — CID 158405383

IUPAC1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methylpropane;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;propane
SMILESCC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)CCc1ccc(OCCCN2CCN(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)NCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCC(F)(F)COc1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)C.CC(C)OCCOCCOC(C)(C)C.CC(C)OCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CCC.CCc1ccc(OC(C)(C)C)nc1.CCc1ccc(OC(C)C)nc1
InChIInChI=1S/2C22H39N3O.2C21H37N3O2.C20H33F2N3O2.C20H43N3O3.C19H40N2O4.C18H39N3O2.C12H27NO2.C11H17NO.C11H24O3.C10H15NO.C4H10.C3H8/c2*1-21(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;2*1-20(2,3)24-13-11-23(12-14-24)10-7-15-25-19-9-8-18(16-22-19)17-26-21(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;1-19(2,3)21-7-14-24-17-18-25-15-12-22-8-10-23(11-9-22)13-16-26-20(4,5)6;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;1-11(2,3)13-7-8-14-9-10-15-12(4,5)6;1-5-9-6-7-10(12-8-9)13-11(2,3)4;1-10(2)13-8-6-12-7-9-14-11(3,4)5;1-4-9-5-6-10(11-7-9)12-8(2)3;1-4(2)3;1-3-2/h2*8-9,18H,7,10-17H2,1-6H3;2*8-9,16H,7,10-15,17H2,1-6H3;7-8,13H,9-12,14-15H2,1-6H3;21H,7-18H2,1-6H3;18H,6-17H2,1-5H3;19H,7-16H2,1-6H3;13H,7-10H2,1-6H3;6-8H,5H2,1-4H3;10H,6-9H2,1-5H3;5-8H,4H2,1-3H3;4H,1-3H3;3H2,1-2H3
InChIKeyGYPVSUACMAQEHS-UHFFFAOYSA-N
MW3767.77 g/mol
LogP37.81
Rot. Bonds86

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

1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methylpropane;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;propane (PubChem CID 158405383) has the molecular formula C214H408F2N26O24 and a molecular weight of 3767.77 g/mol. Its IUPAC name is 1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methylpropane;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;propane.

Molecular Properties

Compound Name1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methylpropane;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;propane
PubChem CID158405383
Molecular FormulaC214H408F2N26O24
Molecular Weight3767.77 g/mol
Exact Mass3765.15
IUPAC Name1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methylpropane;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;propane
SMILESCC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)CCc1ccc(OCCCN2CCN(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)NCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCC(F)(F)COc1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)C.CC(C)OCCOCCOC(C)(C)C.CC(C)OCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CCC.CCc1ccc(OC(C)(C)C)nc1.CCc1ccc(OC(C)C)nc1
InChIInChI=1S/2C22H39N3O.2C21H37N3O2.C20H33F2N3O2.C20H43N3O3.C19H40N2O4.C18H39N3O2.C12H27NO2.C11H17NO.C11H24O3.C10H15NO.C4H10.C3H8/c2*1-21(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;2*1-20(2,3)24-13-11-23(12-14-24)10-7-15-25-19-9-8-18(16-22-19)17-26-21(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;1-19(2,3)21-7-14-24-17-18-25-15-12-22-8-10-23(11-9-22)13-16-26-20(4,5)6;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;1-11(2,3)13-7-8-14-9-10-15-12(4,5)6;1-5-9-6-7-10(12-8-9)13-11(2,3)4;1-10(2)13-8-6-12-7-9-14-11(3,4)5;1-4-9-5-6-10(11-7-9)12-8(2)3;1-4(2)3;1-3-2/h2*8-9,18H,7,10-17H2,1-6H3;2*8-9,16H,7,10-15,17H2,1-6H3;7-8,13H,9-12,14-15H2,1-6H3;21H,7-18H2,1-6H3;18H,6-17H2,1-5H3;19H,7-16H2,1-6H3;13H,7-10H2,1-6H3;6-8H,5H2,1-4H3;10H,6-9H2,1-5H3;5-8H,4H2,1-3H3;4H,1-3H3;3H2,1-2H3
InChIKeyGYPVSUACMAQEHS-UHFFFAOYSA-N
XLogP37.81
TPSA399.68 Ų
H-Bond Donors3
H-Bond Acceptors50
Rotatable Bonds86
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003767.77
LogP ≤ 537.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

3-[1-[2-(1,1-Difluoroethyl)-5-fluorophenyl]ethoxy]-5-[4-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridin-3-yl]pyridin-2-amine
CID 78320602
3-[(1R)-1-(2,5-difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
CID 117948836
N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 123434918
N-[2-[2-[4-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]-2-methylbutyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 123699487
3-[1-(2,5-Difluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
CID 123857364
5-[5-[3-(tert-butylamino)-2,2-difluoropropoxy]pyridin-2-yl]-N-[3-[6-(4-tert-butylpiperazin-1-yl)pyridin-3-yl]oxy-2,2-difluoropropyl]-2,5-dimethylhexan-2-amine
CID 135216829
N-[2-[2-[(1S)-2-[2-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]ethyl]cyclopropyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 144307016
N-[2-[2-[(1R)-2-[2-[[5-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]oxy]ethyl]cyclopropyl]morpholin-4-yl]-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 144307036
8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-3-[[2-(3-methoxypropylamino)-4-pyridinyl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178145
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;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;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine
CID 157050435
2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;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
CID 157062064
CID 157069874
CID 157069874

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methylpropane;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;propane?
The IUPAC name of 1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methylpropane;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;propane (CID 158405383) is 1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methylpropane;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;propane.
What is the SMILES notation for 1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methylpropane;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;propane?
The canonical SMILES for 1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methylpropane;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;propane is CC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)CCc1ccc(OCCCN2CCN(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)NCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCC(F)(F)COc1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)C.CC(C)OCCOCCOC(C)(C)C.CC(C)OCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CCC.CCc1ccc(OC(C)(C)C)nc1.CCc1ccc(OC(C)C)nc1.
What is the InChIKey of 1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methylpropane;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;propane?
The InChIKey is GYPVSUACMAQEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H39N3O.2C21H37N3O2.C20H33F2N3O2.C20H43N3O3.C19H40N2O4.C18H39N3O2.C12H27NO2.C11H17NO.C11H24O3.C10H15NO.C4H10.C3H8/c2*1-21(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;2*1-20(2,3)24-13-11-23(12-14-24)10-7-15-25-19-9-8-18(16-22-19)17-26-21(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;1-19(2,3)21-7-14-24-17-18-25-15-12-22-8-10-23(11-9-22)13-16-26-20(4,5)6;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;1-11(2,3)13-7-8-14-9-10-15-12(4,5)6;1-5-9-6-7-10(12-8-9)13-11(2,3)4;1-10(2)13-8-6-12-7-9-14-11(3,4)5;1-4-9-5-6-10(11-7-9)12-8(2)3;1-4(2)3;1-3-2/h2*8-9,18H,7,10-17H2,1-6H3;2*8-9,16H,7,10-15,17H2,1-6H3;7-8,13H,9-12,14-15H2,1-6H3;21H,7-18H2,1-6H3;18H,6-17H2,1-5H3;19H,7-16H2,1-6H3;13H,7-10H2,1-6H3;6-8H,5H2,1-4H3;10H,6-9H2,1-5H3;5-8H,4H2,1-3H3;4H,1-3H3;3H2,1-2H3.
What are the key properties of 1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methylpropane;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;propane?
1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methylpropane;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;propane has a molecular weight of 3767.77 g/mol, XLogP of 37.81, 86 rotatable bonds, 3 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methylpropane;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;propane is sourced from PubChem (CID 158405383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).