1-tert-butyl-N-(1-tert-butylpiperidin-4-yl)piperidin-4-amine;1-tert-butyl-4-[2-(4-tert-butylpyrazol-1-yl)ethyl]piperidine;4-tert-butyl-1-[1-[(1-tert-butylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole;1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[3-(3,3-dimethylbutyl)azetidin-1-yl]methyl]piperidine;4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]propan-2-amine;bis(6-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1-(2,2-dimethylpropyl)-4-[[7-(2,2-dimethylpropyl)spiro[3.4]octan-2-yl]methyl]piperazine;6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azaspiro[3.3]heptane

C263H507FN30O12 — CID 158042841

IUPAC1-tert-butyl-N-(1-tert-butylpiperidin-4-yl)piperidin-4-amine;1-tert-butyl-4-[2-(4-tert-butylpyrazol-1-yl)ethyl]piperidine;4-tert-butyl-1-[1-[(1-tert-butylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole;1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[3-(3,3-dimethylbutyl)azetidin-1-yl]methyl]piperidine;4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]propan-2-amine;bis(6-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1-(2,2-dimethylpropyl)-4-[[7-(2,2-dimethylpropyl)spiro[3.4]octan-2-yl]methyl]piperazine;6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azaspiro[3.3]heptane
SMILESCC(C)(C)CC1CCC2(C1)CC(CN1CCN(CC(C)(C)C)CC1)C2.CC(C)(C)CCC1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CN1CCC(F)(CN2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)COCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)COCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)N1CCC(NC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCCC2CCN(C(C)(C)C)C2)CC1.CC(C)(C)OCCN1CC(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCNc1ccc(C(C)(C)C)cc1.CC(C)(C)OCCOC1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)OCCOc1cc(C(C)(C)C)ccc1N.CC(C)(C)c1cnn(C2CN(CC3CCN(C(C)(C)C)C3)C2)c1.CC(C)(C)c1cnn(CCC2CCN(C(C)(C)C)CC2)c1.CC(C)N(CC1CCN(C(C)(C)C)CC1)CC1CC(OC(C)(C)C)C1
InChIInChI=1S/C23H44N2.C22H44N2O.C20H39FN2.C19H34N4.C19H39N3.C19H38N2O.C19H38N2.C18H37N3.C18H33N3.2C18H36N2O2.C18H35NO3.C16H27NO2.C16H27NO/c1-21(2,3)13-19-7-8-23(14-19)15-20(16-23)17-24-9-11-25(12-10-24)18-22(4,5)6;1-17(2)23(16-19-13-20(14-19)25-22(6,7)8)15-18-9-11-24(12-10-18)21(3,4)5;1-18(2,3)15-23-13-9-20(21,10-14-23)16-22-11-7-17(8-12-22)19(4,5)6;1-18(2,3)16-9-20-23(12-16)17-13-21(14-17)10-15-7-8-22(11-15)19(4,5)6;1-18(2,3)21-14-12-20(13-15-21)10-7-8-17-9-11-22(16-17)19(4,5)6;1-18(2,3)21-9-7-16(8-10-21)13-17-14-20(15-17)11-12-22-19(4,5)6;1-18(2,3)10-7-17-14-20(15-17)13-16-8-11-21(12-9-16)19(4,5)6;1-17(2,3)20-11-7-15(8-12-20)19-16-9-13-21(14-10-16)18(4,5)6;1-17(2,3)16-13-19-21(14-16)12-9-15-7-10-20(11-8-15)18(4,5)6;2*1-16(2,3)15-21-9-7-19-11-18(12-19)13-20(14-18)8-10-22-17(4,5)6;1-16(2,3)21-8-7-19-13-18(14-19)11-15(12-18)20-9-10-22-17(4,5)6;1-15(2,3)12-7-8-13(17)14(11-12)18-9-10-19-16(4,5)6;1-15(2,3)13-7-9-14(10-8-13)17-11-12-18-16(4,5)6/h19-20H,7-18H2,1-6H3;17-20H,9-16H2,1-8H3;17H,7-16H2,1-6H3;9,12,15,17H,7-8,10-11,13-14H2,1-6H3;17H,7-16H2,1-6H3;16-17H,7-15H2,1-6H3;16-17H,7-15H2,1-6H3;15-16,19H,7-14H2,1-6H3;13-15H,7-12H2,1-6H3;2*7-15H2,1-6H3;15H,7-14H2,1-6H3;7-8,11H,9-10,17H2,1-6H3;7-10,17H,11-12H2,1-6H3
InChIKeyFIOFGLFCXLFQTR-UHFFFAOYSA-N
MW4301.14 g/mol
LogP52.24
Rot. Bonds63

About 1-tert-butyl-N-(1-tert-butylpiperidin-4-yl)piperidin-4-amine;1-tert-butyl-4-[2-(4-tert-butylpyrazol-1-yl)ethyl]piperidine;4-tert-butyl-1-[1-[(1-tert-butylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole;1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[3-(3,3-dimethylbutyl)azetidin-1-yl]methyl]piperidine;4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]propan-2-amine;bis(6-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1-(2,2-dimethylpropyl)-4-[[7-(2,2-dimethylpropyl)spiro[3.4]octan-2-yl]methyl]piperazine;6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azaspiro[3.3]heptane

1-tert-butyl-N-(1-tert-butylpiperidin-4-yl)piperidin-4-amine;1-tert-butyl-4-[2-(4-tert-butylpyrazol-1-yl)ethyl]piperidine;4-tert-butyl-1-[1-[(1-tert-butylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole;1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[3-(3,3-dimethylbutyl)azetidin-1-yl]methyl]piperidine;4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]propan-2-amine;bis(6-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1-(2,2-dimethylpropyl)-4-[[7-(2,2-dimethylpropyl)spiro[3.4]octan-2-yl]methyl]piperazine;6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azaspiro[3.3]heptane (PubChem CID 158042841) has the molecular formula C263H507FN30O12 and a molecular weight of 4301.14 g/mol. Its IUPAC name is 1-tert-butyl-N-(1-tert-butylpiperidin-4-yl)piperidin-4-amine;1-tert-butyl-4-[2-(4-tert-butylpyrazol-1-yl)ethyl]piperidine;4-tert-butyl-1-[1-[(1-tert-butylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole;1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[3-(3,3-dimethylbutyl)azetidin-1-yl]methyl]piperidine;4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]propan-2-amine;bis(6-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1-(2,2-dimethylpropyl)-4-[[7-(2,2-dimethylpropyl)spiro[3.4]octan-2-yl]methyl]piperazine;6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name1-tert-butyl-N-(1-tert-butylpiperidin-4-yl)piperidin-4-amine;1-tert-butyl-4-[2-(4-tert-butylpyrazol-1-yl)ethyl]piperidine;4-tert-butyl-1-[1-[(1-tert-butylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole;1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[3-(3,3-dimethylbutyl)azetidin-1-yl]methyl]piperidine;4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]propan-2-amine;bis(6-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1-(2,2-dimethylpropyl)-4-[[7-(2,2-dimethylpropyl)spiro[3.4]octan-2-yl]methyl]piperazine;6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azaspiro[3.3]heptane
PubChem CID158042841
Molecular FormulaC263H507FN30O12
Molecular Weight4301.14 g/mol
Exact Mass4298.00
IUPAC Name1-tert-butyl-N-(1-tert-butylpiperidin-4-yl)piperidin-4-amine;1-tert-butyl-4-[2-(4-tert-butylpyrazol-1-yl)ethyl]piperidine;4-tert-butyl-1-[1-[(1-tert-butylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole;1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[3-(3,3-dimethylbutyl)azetidin-1-yl]methyl]piperidine;4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]propan-2-amine;bis(6-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1-(2,2-dimethylpropyl)-4-[[7-(2,2-dimethylpropyl)spiro[3.4]octan-2-yl]methyl]piperazine;6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azaspiro[3.3]heptane
SMILESCC(C)(C)CC1CCC2(C1)CC(CN1CCN(CC(C)(C)C)CC1)C2.CC(C)(C)CCC1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CN1CCC(F)(CN2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)COCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)COCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)N1CCC(NC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCCC2CCN(C(C)(C)C)C2)CC1.CC(C)(C)OCCN1CC(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCNc1ccc(C(C)(C)C)cc1.CC(C)(C)OCCOC1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)OCCOc1cc(C(C)(C)C)ccc1N.CC(C)(C)c1cnn(C2CN(CC3CCN(C(C)(C)C)C3)C2)c1.CC(C)(C)c1cnn(CCC2CCN(C(C)(C)C)CC2)c1.CC(C)N(CC1CCN(C(C)(C)C)CC1)CC1CC(OC(C)(C)C)C1
InChIInChI=1S/C23H44N2.C22H44N2O.C20H39FN2.C19H34N4.C19H39N3.C19H38N2O.C19H38N2.C18H37N3.C18H33N3.2C18H36N2O2.C18H35NO3.C16H27NO2.C16H27NO/c1-21(2,3)13-19-7-8-23(14-19)15-20(16-23)17-24-9-11-25(12-10-24)18-22(4,5)6;1-17(2)23(16-19-13-20(14-19)25-22(6,7)8)15-18-9-11-24(12-10-18)21(3,4)5;1-18(2,3)15-23-13-9-20(21,10-14-23)16-22-11-7-17(8-12-22)19(4,5)6;1-18(2,3)16-9-20-23(12-16)17-13-21(14-17)10-15-7-8-22(11-15)19(4,5)6;1-18(2,3)21-14-12-20(13-15-21)10-7-8-17-9-11-22(16-17)19(4,5)6;1-18(2,3)21-9-7-16(8-10-21)13-17-14-20(15-17)11-12-22-19(4,5)6;1-18(2,3)10-7-17-14-20(15-17)13-16-8-11-21(12-9-16)19(4,5)6;1-17(2,3)20-11-7-15(8-12-20)19-16-9-13-21(14-10-16)18(4,5)6;1-17(2,3)16-13-19-21(14-16)12-9-15-7-10-20(11-8-15)18(4,5)6;2*1-16(2,3)15-21-9-7-19-11-18(12-19)13-20(14-18)8-10-22-17(4,5)6;1-16(2,3)21-8-7-19-13-18(14-19)11-15(12-18)20-9-10-22-17(4,5)6;1-15(2,3)12-7-8-13(17)14(11-12)18-9-10-19-16(4,5)6;1-15(2,3)13-7-9-14(10-8-13)17-11-12-18-16(4,5)6/h19-20H,7-18H2,1-6H3;17-20H,9-16H2,1-8H3;17H,7-16H2,1-6H3;9,12,15,17H,7-8,10-11,13-14H2,1-6H3;17H,7-16H2,1-6H3;16-17H,7-15H2,1-6H3;16-17H,7-15H2,1-6H3;15-16,19H,7-14H2,1-6H3;13-15H,7-12H2,1-6H3;2*7-15H2,1-6H3;15H,7-14H2,1-6H3;7-8,11H,9-10,17H2,1-6H3;7-10,17H,11-12H2,1-6H3
InChIKeyFIOFGLFCXLFQTR-UHFFFAOYSA-N
XLogP52.24
TPSA271.00 Ų
H-Bond Donors3
H-Bond Acceptors42
Rotatable Bonds63
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004301.14
LogP ≤ 552.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1042

Analyze 1-tert-butyl-N-(1-tert-butylpiperidin-4-yl)piperidin-4-amine;1-tert-butyl-4-[2-(4-tert-butylpyrazol-1-yl)ethyl]piperidine;4-tert-butyl-1-[1-[(1-tert-butylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole;1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[3-(3,3-dimethylbutyl)azetidin-1-yl]methyl]piperidine;4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]propan-2-amine;bis(6-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1-(2,2-dimethylpropyl)-4-[[7-(2,2-dimethylpropyl)spiro[3.4]octan-2-yl]methyl]piperazine;6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azaspiro[3.3]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(1-tert-butylpiperidin-4-yl)piperidin-4-amine;1-tert-butyl-4-[2-(4-tert-butylpyrazol-1-yl)ethyl]piperidine;4-tert-butyl-1-[1-[(1-tert-butylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole;1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[3-(3,3-dimethylbutyl)azetidin-1-yl]methyl]piperidine;4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]propan-2-amine;bis(6-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1-(2,2-dimethylpropyl)-4-[[7-(2,2-dimethylpropyl)spiro[3.4]octan-2-yl]methyl]piperazine;6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azaspiro[3.3]heptane?
The IUPAC name of 1-tert-butyl-N-(1-tert-butylpiperidin-4-yl)piperidin-4-amine;1-tert-butyl-4-[2-(4-tert-butylpyrazol-1-yl)ethyl]piperidine;4-tert-butyl-1-[1-[(1-tert-butylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole;1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[3-(3,3-dimethylbutyl)azetidin-1-yl]methyl]piperidine;4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]propan-2-amine;bis(6-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1-(2,2-dimethylpropyl)-4-[[7-(2,2-dimethylpropyl)spiro[3.4]octan-2-yl]methyl]piperazine;6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azaspiro[3.3]heptane (CID 158042841) is 1-tert-butyl-N-(1-tert-butylpiperidin-4-yl)piperidin-4-amine;1-tert-butyl-4-[2-(4-tert-butylpyrazol-1-yl)ethyl]piperidine;4-tert-butyl-1-[1-[(1-tert-butylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole;1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[3-(3,3-dimethylbutyl)azetidin-1-yl]methyl]piperidine;4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]propan-2-amine;bis(6-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1-(2,2-dimethylpropyl)-4-[[7-(2,2-dimethylpropyl)spiro[3.4]octan-2-yl]methyl]piperazine;6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 1-tert-butyl-N-(1-tert-butylpiperidin-4-yl)piperidin-4-amine;1-tert-butyl-4-[2-(4-tert-butylpyrazol-1-yl)ethyl]piperidine;4-tert-butyl-1-[1-[(1-tert-butylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole;1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[3-(3,3-dimethylbutyl)azetidin-1-yl]methyl]piperidine;4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]propan-2-amine;bis(6-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1-(2,2-dimethylpropyl)-4-[[7-(2,2-dimethylpropyl)spiro[3.4]octan-2-yl]methyl]piperazine;6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 1-tert-butyl-N-(1-tert-butylpiperidin-4-yl)piperidin-4-amine;1-tert-butyl-4-[2-(4-tert-butylpyrazol-1-yl)ethyl]piperidine;4-tert-butyl-1-[1-[(1-tert-butylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole;1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[3-(3,3-dimethylbutyl)azetidin-1-yl]methyl]piperidine;4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]propan-2-amine;bis(6-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1-(2,2-dimethylpropyl)-4-[[7-(2,2-dimethylpropyl)spiro[3.4]octan-2-yl]methyl]piperazine;6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azaspiro[3.3]heptane is CC(C)(C)CC1CCC2(C1)CC(CN1CCN(CC(C)(C)C)CC1)C2.CC(C)(C)CCC1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CN1CCC(F)(CN2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)COCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)COCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)N1CCC(NC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCCC2CCN(C(C)(C)C)C2)CC1.CC(C)(C)OCCN1CC(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCNc1ccc(C(C)(C)C)cc1.CC(C)(C)OCCOC1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)OCCOc1cc(C(C)(C)C)ccc1N.CC(C)(C)c1cnn(C2CN(CC3CCN(C(C)(C)C)C3)C2)c1.CC(C)(C)c1cnn(CCC2CCN(C(C)(C)C)CC2)c1.CC(C)N(CC1CCN(C(C)(C)C)CC1)CC1CC(OC(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N-(1-tert-butylpiperidin-4-yl)piperidin-4-amine;1-tert-butyl-4-[2-(4-tert-butylpyrazol-1-yl)ethyl]piperidine;4-tert-butyl-1-[1-[(1-tert-butylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole;1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[3-(3,3-dimethylbutyl)azetidin-1-yl]methyl]piperidine;4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]propan-2-amine;bis(6-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1-(2,2-dimethylpropyl)-4-[[7-(2,2-dimethylpropyl)spiro[3.4]octan-2-yl]methyl]piperazine;6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azaspiro[3.3]heptane?
The InChIKey is FIOFGLFCXLFQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2.C22H44N2O.C20H39FN2.C19H34N4.C19H39N3.C19H38N2O.C19H38N2.C18H37N3.C18H33N3.2C18H36N2O2.C18H35NO3.C16H27NO2.C16H27NO/c1-21(2,3)13-19-7-8-23(14-19)15-20(16-23)17-24-9-11-25(12-10-24)18-22(4,5)6;1-17(2)23(16-19-13-20(14-19)25-22(6,7)8)15-18-9-11-24(12-10-18)21(3,4)5;1-18(2,3)15-23-13-9-20(21,10-14-23)16-22-11-7-17(8-12-22)19(4,5)6;1-18(2,3)16-9-20-23(12-16)17-13-21(14-17)10-15-7-8-22(11-15)19(4,5)6;1-18(2,3)21-14-12-20(13-15-21)10-7-8-17-9-11-22(16-17)19(4,5)6;1-18(2,3)21-9-7-16(8-10-21)13-17-14-20(15-17)11-12-22-19(4,5)6;1-18(2,3)10-7-17-14-20(15-17)13-16-8-11-21(12-9-16)19(4,5)6;1-17(2,3)20-11-7-15(8-12-20)19-16-9-13-21(14-10-16)18(4,5)6;1-17(2,3)16-13-19-21(14-16)12-9-15-7-10-20(11-8-15)18(4,5)6;2*1-16(2,3)15-21-9-7-19-11-18(12-19)13-20(14-18)8-10-22-17(4,5)6;1-16(2,3)21-8-7-19-13-18(14-19)11-15(12-18)20-9-10-22-17(4,5)6;1-15(2,3)12-7-8-13(17)14(11-12)18-9-10-19-16(4,5)6;1-15(2,3)13-7-9-14(10-8-13)17-11-12-18-16(4,5)6/h19-20H,7-18H2,1-6H3;17-20H,9-16H2,1-8H3;17H,7-16H2,1-6H3;9,12,15,17H,7-8,10-11,13-14H2,1-6H3;17H,7-16H2,1-6H3;16-17H,7-15H2,1-6H3;16-17H,7-15H2,1-6H3;15-16,19H,7-14H2,1-6H3;13-15H,7-12H2,1-6H3;2*7-15H2,1-6H3;15H,7-14H2,1-6H3;7-8,11H,9-10,17H2,1-6H3;7-10,17H,11-12H2,1-6H3.
What are the key properties of 1-tert-butyl-N-(1-tert-butylpiperidin-4-yl)piperidin-4-amine;1-tert-butyl-4-[2-(4-tert-butylpyrazol-1-yl)ethyl]piperidine;4-tert-butyl-1-[1-[(1-tert-butylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole;1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[3-(3,3-dimethylbutyl)azetidin-1-yl]methyl]piperidine;4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]propan-2-amine;bis(6-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1-(2,2-dimethylpropyl)-4-[[7-(2,2-dimethylpropyl)spiro[3.4]octan-2-yl]methyl]piperazine;6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azaspiro[3.3]heptane?
1-tert-butyl-N-(1-tert-butylpiperidin-4-yl)piperidin-4-amine;1-tert-butyl-4-[2-(4-tert-butylpyrazol-1-yl)ethyl]piperidine;4-tert-butyl-1-[1-[(1-tert-butylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole;1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[3-(3,3-dimethylbutyl)azetidin-1-yl]methyl]piperidine;4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]propan-2-amine;bis(6-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1-(2,2-dimethylpropyl)-4-[[7-(2,2-dimethylpropyl)spiro[3.4]octan-2-yl]methyl]piperazine;6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azaspiro[3.3]heptane has a molecular weight of 4301.14 g/mol, XLogP of 52.24, 63 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(1-tert-butylpiperidin-4-yl)piperidin-4-amine;1-tert-butyl-4-[2-(4-tert-butylpyrazol-1-yl)ethyl]piperidine;4-tert-butyl-1-[1-[(1-tert-butylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole;1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[3-(3,3-dimethylbutyl)azetidin-1-yl]methyl]piperidine;4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]propan-2-amine;bis(6-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1-(2,2-dimethylpropyl)-4-[[7-(2,2-dimethylpropyl)spiro[3.4]octan-2-yl]methyl]piperazine;6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 158042841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).