(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine

C145H274N24O3S — CID 167670473

IUPAC(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine
SMILESCC(C)CCN1[C@H](C)CN(C(C)C)C[C@H]1C.CC(C)N1CCC(C(=O)N(C)C2CN(C(C)C)C2)CC1.CC(C)N1CCC(CCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(OCC2CCN(C(C)C)C2)CC1.CC(C)N1CCN(CC2CN(C(C)C)C2)CC1.CC(C)N1CCN(C[C@H]2C[C@@H]3C[C@H]2CN3C(C)C)CC1.CC(C)OCCN(C)C1CCN(C(C)C)C1.CC(C)SCCN1CCN(C(C)C)CC1.CC(C)c1ncc(-c2ccc(-c3ccc(-c4cnc(C(C)C)n4C)cc3)cc2)n1C
InChIInChI=1S/C26H30N4.C17H33N3.C17H35N3.C16H31N3O.C16H32N2O.C14H29N3.C14H30N2.C13H28N2O.C12H26N2S/c1-17(2)25-27-15-23(29(25)5)21-11-7-19(8-12-21)20-9-13-22(14-10-20)24-16-28-26(18(3)4)30(24)6;1-13(2)19-7-5-18(6-8-19)11-15-9-17-10-16(15)12-20(17)14(3)4;1-15(2)19-9-6-17(7-10-19)5-8-18-11-13-20(14-12-18)16(3)4;1-12(2)18-8-6-14(7-9-18)16(20)17(5)15-10-19(11-15)13(3)4;1-13(2)17-9-6-16(7-10-17)19-12-15-5-8-18(11-15)14(3)4;1-12(2)16-7-5-15(6-8-16)9-14-10-17(11-14)13(3)4;1-11(2)7-8-16-13(5)9-15(12(3)4)10-14(16)6;1-11(2)15-7-6-13(10-15)14(5)8-9-16-12(3)4;1-11(2)14-7-5-13(6-8-14)9-10-15-12(3)4/h7-18H,1-6H3;13-17H,5-12H2,1-4H3;15-17H,5-14H2,1-4H3;12-15H,6-11H2,1-5H3;13-16H,5-12H2,1-4H3;12-14H,5-11H2,1-4H3;11-14H,7-10H2,1-6H3;11-13H,6-10H2,1-5H3;11-12H,5-10H2,1-4H3/t;15-,16+,17-;;;;;13-,14-;;/m.1....1../s1
InChIKeyUAKZYHYAEVFSBM-QCFXRBQWSA-N
MW2434.02 g/mol
LogP23.49
Rot. Bonds42

About (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine

(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine (PubChem CID 167670473) has the molecular formula C145H274N24O3S and a molecular weight of 2434.02 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine
PubChem CID167670473
Molecular FormulaC145H274N24O3S
Molecular Weight2434.02 g/mol
Exact Mass2432.17
IUPAC Name(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine
SMILESCC(C)CCN1[C@H](C)CN(C(C)C)C[C@H]1C.CC(C)N1CCC(C(=O)N(C)C2CN(C(C)C)C2)CC1.CC(C)N1CCC(CCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(OCC2CCN(C(C)C)C2)CC1.CC(C)N1CCN(CC2CN(C(C)C)C2)CC1.CC(C)N1CCN(C[C@H]2C[C@@H]3C[C@H]2CN3C(C)C)CC1.CC(C)OCCN(C)C1CCN(C(C)C)C1.CC(C)SCCN1CCN(C(C)C)CC1.CC(C)c1ncc(-c2ccc(-c3ccc(-c4cnc(C(C)C)n4C)cc3)cc2)n1C
InChIInChI=1S/C26H30N4.C17H33N3.C17H35N3.C16H31N3O.C16H32N2O.C14H29N3.C14H30N2.C13H28N2O.C12H26N2S/c1-17(2)25-27-15-23(29(25)5)21-11-7-19(8-12-21)20-9-13-22(14-10-20)24-16-28-26(18(3)4)30(24)6;1-13(2)19-7-5-18(6-8-19)11-15-9-17-10-16(15)12-20(17)14(3)4;1-15(2)19-9-6-17(7-10-19)5-8-18-11-13-20(14-12-18)16(3)4;1-12(2)18-8-6-14(7-9-18)16(20)17(5)15-10-19(11-15)13(3)4;1-13(2)17-9-6-16(7-10-17)19-12-15-5-8-18(11-15)14(3)4;1-12(2)16-7-5-15(6-8-16)9-14-10-17(11-14)13(3)4;1-11(2)7-8-16-13(5)9-15(12(3)4)10-14(16)6;1-11(2)15-7-6-13(10-15)14(5)8-9-16-12(3)4;1-11(2)14-7-5-13(6-8-14)9-10-15-12(3)4/h7-18H,1-6H3;13-17H,5-12H2,1-4H3;15-17H,5-14H2,1-4H3;12-15H,6-11H2,1-5H3;13-16H,5-12H2,1-4H3;12-14H,5-11H2,1-4H3;11-14H,7-10H2,1-6H3;11-13H,6-10H2,1-5H3;11-12H,5-10H2,1-4H3/t;15-,16+,17-;;;;;13-,14-;;/m.1....1../s1
InChIKeyUAKZYHYAEVFSBM-QCFXRBQWSA-N
XLogP23.49
TPSA135.97 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds42
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002434.02
LogP ≤ 523.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one
CID 158312252
1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine
CID 159432974
N,1-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;ethane;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine
CID 160548835
CID 160563815
CID 160563815
CID 161140098
CID 161140098
ethane;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine
CID 167580379
CID 167588486
CID 167588486
1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-4-propan-2-yl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)methyl]piperazine;N-propan-2-yl-N-[(3-propan-2-ylcyclobutyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(3-propan-2-ylcyclopentyl)methoxy]piperidine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine
CID 167669446

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine?
The IUPAC name of (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine (CID 167670473) is (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine is CC(C)CCN1[C@H](C)CN(C(C)C)C[C@H]1C.CC(C)N1CCC(C(=O)N(C)C2CN(C(C)C)C2)CC1.CC(C)N1CCC(CCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(OCC2CCN(C(C)C)C2)CC1.CC(C)N1CCN(CC2CN(C(C)C)C2)CC1.CC(C)N1CCN(C[C@H]2C[C@@H]3C[C@H]2CN3C(C)C)CC1.CC(C)OCCN(C)C1CCN(C(C)C)C1.CC(C)SCCN1CCN(C(C)C)CC1.CC(C)c1ncc(-c2ccc(-c3ccc(-c4cnc(C(C)C)n4C)cc3)cc2)n1C.
What is the InChIKey of (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine?
The InChIKey is UAKZYHYAEVFSBM-QCFXRBQWSA-N. The full InChI is InChI=1S/C26H30N4.C17H33N3.C17H35N3.C16H31N3O.C16H32N2O.C14H29N3.C14H30N2.C13H28N2O.C12H26N2S/c1-17(2)25-27-15-23(29(25)5)21-11-7-19(8-12-21)20-9-13-22(14-10-20)24-16-28-26(18(3)4)30(24)6;1-13(2)19-7-5-18(6-8-19)11-15-9-17-10-16(15)12-20(17)14(3)4;1-15(2)19-9-6-17(7-10-19)5-8-18-11-13-20(14-12-18)16(3)4;1-12(2)18-8-6-14(7-9-18)16(20)17(5)15-10-19(11-15)13(3)4;1-13(2)17-9-6-16(7-10-17)19-12-15-5-8-18(11-15)14(3)4;1-12(2)16-7-5-15(6-8-16)9-14-10-17(11-14)13(3)4;1-11(2)7-8-16-13(5)9-15(12(3)4)10-14(16)6;1-11(2)15-7-6-13(10-15)14(5)8-9-16-12(3)4;1-11(2)14-7-5-13(6-8-14)9-10-15-12(3)4/h7-18H,1-6H3;13-17H,5-12H2,1-4H3;15-17H,5-14H2,1-4H3;12-15H,6-11H2,1-5H3;13-16H,5-12H2,1-4H3;12-14H,5-11H2,1-4H3;11-14H,7-10H2,1-6H3;11-13H,6-10H2,1-5H3;11-12H,5-10H2,1-4H3/t;15-,16+,17-;;;;;13-,14-;;/m.1....1../s1.
What are the key properties of (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine?
(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine has a molecular weight of 2434.02 g/mol, XLogP of 23.49, 42 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine is sourced from PubChem (CID 167670473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).