1-tert-butyl-4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;4-tert-butyl-N-[2-(2,2-dimethylpropoxy)ethyl]-N-methylcyclohexan-1-amine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;9-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;3-(3,3-dimethylbutoxy)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine

C240H485F5N30O18 — CID 159074750

IUPAC1-tert-butyl-4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;4-tert-butyl-N-[2-(2,2-dimethylpropoxy)ethyl]-N-methylcyclohexan-1-amine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;9-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;3-(3,3-dimethylbutoxy)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine
SMILESCC(C)(C)CCN1CCCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCOC1CCCN(CCCOC(C)(C)C)C1.CC(C)(C)CN1CCC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OC1CN(CCN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCC(=O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)OCC(CN1CCN(C(C)(C)C)CC1)C(F)(F)F.CC(C)(C)OCC(F)(F)CN1CCN(C(C)(C)C)CC1.CC(C)(C)OCC(O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCCN1CCN(c2ccc(OC(C)(C)C)nc2)CC1.CC(C)(C)OCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)N1CCN(CCC2CC(COC(C)(C)C)C2)CC1.CC(O)(COC(C)(C)C)CN1CCN(C(C)(C)C)CC1.CN(CCOCC(C)(C)C)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C21H43N3.C20H35N3O2.C18H37N3.C18H36N2O2.C18H36N2O.C18H37NO2.C18H37NO.C17H35N3O.C16H31F3N2O.C16H34N2O2.C15H30F2N2O.C15H32N2O2.C15H30N2O2.C15H32N2O/c1-20(2,3)10-15-22-11-7-12-23(17-16-22)18-19-8-13-24(14-9-19)21(4,5)6;1-19(2,3)24-15-7-10-22-11-13-23(14-12-22)17-8-9-18(21-16-17)25-20(4,5)6;1-17(2,3)15-20-8-7-16(14-20)13-19-9-11-21(12-10-19)18(4,5)6;1-16(2,3)20-9-7-18(8-10-20)15-19(12-14-22-18)11-13-21-17(4,5)6;1-15(2)20-10-8-19(9-11-20)7-6-16-12-17(13-16)14-21-18(3,4)5;1-17(2,3)10-14-20-16-9-7-11-19(15-16)12-8-13-21-18(4,5)6;1-17(2,3)14-20-13-12-19(7)16-10-8-15(9-11-16)18(4,5)6;1-16(2,3)20-11-9-18(10-12-20)7-8-19-13-15(14-19)21-17(4,5)6;1-14(2,3)21-9-7-20(8-10-21)11-13(16(17,18)19)12-22-15(4,5)6;1-14(2,3)18-10-8-17(9-11-18)12-16(7,19)13-20-15(4,5)6;1-13(2,3)19-9-7-18(8-10-19)11-15(16,17)12-20-14(4,5)6;2*1-14(2,3)17-9-7-16(8-10-17)11-13(18)12-19-15(4,5)6;1-14(2,3)17-11-9-16(10-12-17)8-7-13-18-15(4,5)6/h19H,7-18H2,1-6H3;8-9,16H,7,10-15H2,1-6H3;16H,7-15H2,1-6H3;7-15H2,1-6H3;15-17H,6-14H2,1-5H3;16H,7-15H2,1-6H3;15-16H,8-14H2,1-7H3;15H,7-14H2,1-6H3;13H,7-12H2,1-6H3;19H,8-13H2,1-7H3;7-12H2,1-6H3;13,18H,7-12H2,1-6H3;7-12H2,1-6H3;7-13H2,1-6H3
InChIKeyKACKTJKMRVITOV-UHFFFAOYSA-N
MW4174.70 g/mol
LogP41.09
Rot. Bonds62

About 1-tert-butyl-4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;4-tert-butyl-N-[2-(2,2-dimethylpropoxy)ethyl]-N-methylcyclohexan-1-amine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;9-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;3-(3,3-dimethylbutoxy)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine

1-tert-butyl-4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;4-tert-butyl-N-[2-(2,2-dimethylpropoxy)ethyl]-N-methylcyclohexan-1-amine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;9-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;3-(3,3-dimethylbutoxy)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine (PubChem CID 159074750) has the molecular formula C240H485F5N30O18 and a molecular weight of 4174.70 g/mol. Its IUPAC name is 1-tert-butyl-4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;4-tert-butyl-N-[2-(2,2-dimethylpropoxy)ethyl]-N-methylcyclohexan-1-amine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;9-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;3-(3,3-dimethylbutoxy)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;4-tert-butyl-N-[2-(2,2-dimethylpropoxy)ethyl]-N-methylcyclohexan-1-amine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;9-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;3-(3,3-dimethylbutoxy)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine
PubChem CID159074750
Molecular FormulaC240H485F5N30O18
Molecular Weight4174.70 g/mol
Exact Mass4171.79
IUPAC Name1-tert-butyl-4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;4-tert-butyl-N-[2-(2,2-dimethylpropoxy)ethyl]-N-methylcyclohexan-1-amine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;9-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;3-(3,3-dimethylbutoxy)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine
SMILESCC(C)(C)CCN1CCCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCOC1CCCN(CCCOC(C)(C)C)C1.CC(C)(C)CN1CCC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OC1CN(CCN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCC(=O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)OCC(CN1CCN(C(C)(C)C)CC1)C(F)(F)F.CC(C)(C)OCC(F)(F)CN1CCN(C(C)(C)C)CC1.CC(C)(C)OCC(O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCCN1CCN(c2ccc(OC(C)(C)C)nc2)CC1.CC(C)(C)OCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)N1CCN(CCC2CC(COC(C)(C)C)C2)CC1.CC(O)(COC(C)(C)C)CN1CCN(C(C)(C)C)CC1.CN(CCOCC(C)(C)C)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C21H43N3.C20H35N3O2.C18H37N3.C18H36N2O2.C18H36N2O.C18H37NO2.C18H37NO.C17H35N3O.C16H31F3N2O.C16H34N2O2.C15H30F2N2O.C15H32N2O2.C15H30N2O2.C15H32N2O/c1-20(2,3)10-15-22-11-7-12-23(17-16-22)18-19-8-13-24(14-9-19)21(4,5)6;1-19(2,3)24-15-7-10-22-11-13-23(14-12-22)17-8-9-18(21-16-17)25-20(4,5)6;1-17(2,3)15-20-8-7-16(14-20)13-19-9-11-21(12-10-19)18(4,5)6;1-16(2,3)20-9-7-18(8-10-20)15-19(12-14-22-18)11-13-21-17(4,5)6;1-15(2)20-10-8-19(9-11-20)7-6-16-12-17(13-16)14-21-18(3,4)5;1-17(2,3)10-14-20-16-9-7-11-19(15-16)12-8-13-21-18(4,5)6;1-17(2,3)14-20-13-12-19(7)16-10-8-15(9-11-16)18(4,5)6;1-16(2,3)20-11-9-18(10-12-20)7-8-19-13-15(14-19)21-17(4,5)6;1-14(2,3)21-9-7-20(8-10-21)11-13(16(17,18)19)12-22-15(4,5)6;1-14(2,3)18-10-8-17(9-11-18)12-16(7,19)13-20-15(4,5)6;1-13(2,3)19-9-7-18(8-10-19)11-15(16,17)12-20-14(4,5)6;2*1-14(2,3)17-9-7-16(8-10-17)11-13(18)12-19-15(4,5)6;1-14(2,3)17-11-9-16(10-12-17)8-7-13-18-15(4,5)6/h19H,7-18H2,1-6H3;8-9,16H,7,10-15H2,1-6H3;16H,7-15H2,1-6H3;7-15H2,1-6H3;15-17H,6-14H2,1-5H3;16H,7-15H2,1-6H3;15-16H,8-14H2,1-7H3;15H,7-14H2,1-6H3;13H,7-12H2,1-6H3;19H,8-13H2,1-7H3;7-12H2,1-6H3;13,18H,7-12H2,1-6H3;7-12H2,1-6H3;7-13H2,1-6H3
InChIKeyKACKTJKMRVITOV-UHFFFAOYSA-N
XLogP41.09
TPSA302.83 Ų
H-Bond Donors2
H-Bond Acceptors48
Rotatable Bonds62
Heavy Atoms293
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004174.70
LogP ≤ 541.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1048

Analyze 1-tert-butyl-4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;4-tert-butyl-N-[2-(2,2-dimethylpropoxy)ethyl]-N-methylcyclohexan-1-amine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;9-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;3-(3,3-dimethylbutoxy)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;4-tert-butyl-N-[2-(2,2-dimethylpropoxy)ethyl]-N-methylcyclohexan-1-amine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;9-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;3-(3,3-dimethylbutoxy)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;4-tert-butyl-N-[2-(2,2-dimethylpropoxy)ethyl]-N-methylcyclohexan-1-amine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;9-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;3-(3,3-dimethylbutoxy)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine (CID 159074750) is 1-tert-butyl-4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;4-tert-butyl-N-[2-(2,2-dimethylpropoxy)ethyl]-N-methylcyclohexan-1-amine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;9-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;3-(3,3-dimethylbutoxy)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;4-tert-butyl-N-[2-(2,2-dimethylpropoxy)ethyl]-N-methylcyclohexan-1-amine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;9-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;3-(3,3-dimethylbutoxy)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;4-tert-butyl-N-[2-(2,2-dimethylpropoxy)ethyl]-N-methylcyclohexan-1-amine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;9-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;3-(3,3-dimethylbutoxy)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine is CC(C)(C)CCN1CCCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCOC1CCCN(CCCOC(C)(C)C)C1.CC(C)(C)CN1CCC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OC1CN(CCN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCC(=O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)OCC(CN1CCN(C(C)(C)C)CC1)C(F)(F)F.CC(C)(C)OCC(F)(F)CN1CCN(C(C)(C)C)CC1.CC(C)(C)OCC(O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCCN1CCN(c2ccc(OC(C)(C)C)nc2)CC1.CC(C)(C)OCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)N1CCN(CCC2CC(COC(C)(C)C)C2)CC1.CC(O)(COC(C)(C)C)CN1CCN(C(C)(C)C)CC1.CN(CCOCC(C)(C)C)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;4-tert-butyl-N-[2-(2,2-dimethylpropoxy)ethyl]-N-methylcyclohexan-1-amine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;9-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;3-(3,3-dimethylbutoxy)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine?
The InChIKey is KACKTJKMRVITOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3.C20H35N3O2.C18H37N3.C18H36N2O2.C18H36N2O.C18H37NO2.C18H37NO.C17H35N3O.C16H31F3N2O.C16H34N2O2.C15H30F2N2O.C15H32N2O2.C15H30N2O2.C15H32N2O/c1-20(2,3)10-15-22-11-7-12-23(17-16-22)18-19-8-13-24(14-9-19)21(4,5)6;1-19(2,3)24-15-7-10-22-11-13-23(14-12-22)17-8-9-18(21-16-17)25-20(4,5)6;1-17(2,3)15-20-8-7-16(14-20)13-19-9-11-21(12-10-19)18(4,5)6;1-16(2,3)20-9-7-18(8-10-20)15-19(12-14-22-18)11-13-21-17(4,5)6;1-15(2)20-10-8-19(9-11-20)7-6-16-12-17(13-16)14-21-18(3,4)5;1-17(2,3)10-14-20-16-9-7-11-19(15-16)12-8-13-21-18(4,5)6;1-17(2,3)14-20-13-12-19(7)16-10-8-15(9-11-16)18(4,5)6;1-16(2,3)20-11-9-18(10-12-20)7-8-19-13-15(14-19)21-17(4,5)6;1-14(2,3)21-9-7-20(8-10-21)11-13(16(17,18)19)12-22-15(4,5)6;1-14(2,3)18-10-8-17(9-11-18)12-16(7,19)13-20-15(4,5)6;1-13(2,3)19-9-7-18(8-10-19)11-15(16,17)12-20-14(4,5)6;2*1-14(2,3)17-9-7-16(8-10-17)11-13(18)12-19-15(4,5)6;1-14(2,3)17-11-9-16(10-12-17)8-7-13-18-15(4,5)6/h19H,7-18H2,1-6H3;8-9,16H,7,10-15H2,1-6H3;16H,7-15H2,1-6H3;7-15H2,1-6H3;15-17H,6-14H2,1-5H3;16H,7-15H2,1-6H3;15-16H,8-14H2,1-7H3;15H,7-14H2,1-6H3;13H,7-12H2,1-6H3;19H,8-13H2,1-7H3;7-12H2,1-6H3;13,18H,7-12H2,1-6H3;7-12H2,1-6H3;7-13H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;4-tert-butyl-N-[2-(2,2-dimethylpropoxy)ethyl]-N-methylcyclohexan-1-amine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;9-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;3-(3,3-dimethylbutoxy)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine?
1-tert-butyl-4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;4-tert-butyl-N-[2-(2,2-dimethylpropoxy)ethyl]-N-methylcyclohexan-1-amine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;9-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;3-(3,3-dimethylbutoxy)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine has a molecular weight of 4174.70 g/mol, XLogP of 41.09, 62 rotatable bonds, 2 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;4-tert-butyl-N-[2-(2,2-dimethylpropoxy)ethyl]-N-methylcyclohexan-1-amine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]ethyl]piperazine;9-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-(4-tert-butylpiperazin-1-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-(4-tert-butylpiperazin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-tert-butyl-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propyl]piperazine;3-(3,3-dimethylbutoxy)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine is sourced from PubChem (CID 159074750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).