3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2R)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2S)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol

C185H300N28O15 — CID 157218857

IUPAC3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2R)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2S)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol
SMILESCC(C)c1cc(CN(C)C)c(C2(O)CCOCC2)cn1.CC(C)c1ccc(C2(N(C)C)CCOCC2)cn1.CC(C)c1ccc(C2(O)CCOCC2)c(CN(C)C)n1.CC(C)c1ccc(C2(OCCN(C)C)CCOCC2)cn1.CC(C)c1ccc(N2CCC(O)(C3CCCN3C)CC2)cn1.CC(C)c1ccc(N2CCC(O)([C@@H]3CCCN3C)CC2)cn1.CC(C)c1ccc(N2CCC(O)([C@H]3CCCN3C)CC2)cn1.CC(C)c1ccc(N2CCCC(O)(CN(C)C3CC3)C2)cn1.CC(C)c1ccc(N2CCC[C@](O)(CN(C)C3CC3)C2)cn1.CC(C)c1ccc(N2CCOCC2)c(CN(C)C)n1.CC(C)c1ccc(OC2CCOCC2)c(CN(C)C)n1
InChIInChI=1S/5C18H29N3O.C17H28N2O2.3C16H26N2O2.C15H25N3O.C15H24N2O/c2*1-14(2)17-8-7-16(11-19-17)21-10-4-9-18(22,13-21)12-20(3)15-5-6-15;3*1-14(2)16-7-6-15(13-19-16)21-11-8-18(22,9-12-21)17-5-4-10-20(17)3;1-14(2)16-6-5-15(13-18-16)17(7-10-20-11-8-17)21-12-9-19(3)4;1-12(2)15-9-13(11-18(3)4)14(10-17-15)16(19)5-7-20-8-6-16;1-12(2)14-5-6-16(15(17-14)11-18(3)4)20-13-7-9-19-10-8-13;1-12(2)14-6-5-13(15(17-14)11-18(3)4)16(19)7-9-20-10-8-16;1-12(2)13-5-6-15(14(16-13)11-17(3)4)18-7-9-19-10-8-18;1-12(2)14-6-5-13(11-16-14)15(17(3)4)7-9-18-10-8-15/h2*7-8,11,14-15,22H,4-6,9-10,12-13H2,1-3H3;3*6-7,13-14,17,22H,4-5,8-12H2,1-3H3;5-6,13-14H,7-12H2,1-4H3;9-10,12,19H,5-8,11H2,1-4H3;5-6,12-13H,7-11H2,1-4H3;5-6,12,19H,7-11H2,1-4H3;5-6,12H,7-11H2,1-4H3;5-6,11-12H,7-10H2,1-4H3/t18-;;2*17-;;;;;;;/m0.10......./s1
InChIKeyASSYRGPSLPJULT-RVNDWDBBSA-N
MW3156.62 g/mol
LogP28.17
Rot. Bonds45

About 3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2R)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2S)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol

3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2R)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2S)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol (PubChem CID 157218857) has the molecular formula C185H300N28O15 and a molecular weight of 3156.62 g/mol. Its IUPAC name is 3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2R)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2S)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol.

Molecular Properties

Compound Name3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2R)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2S)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol
PubChem CID157218857
Molecular FormulaC185H300N28O15
Molecular Weight3156.62 g/mol
Exact Mass3154.36
IUPAC Name3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2R)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2S)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol
SMILESCC(C)c1cc(CN(C)C)c(C2(O)CCOCC2)cn1.CC(C)c1ccc(C2(N(C)C)CCOCC2)cn1.CC(C)c1ccc(C2(O)CCOCC2)c(CN(C)C)n1.CC(C)c1ccc(C2(OCCN(C)C)CCOCC2)cn1.CC(C)c1ccc(N2CCC(O)(C3CCCN3C)CC2)cn1.CC(C)c1ccc(N2CCC(O)([C@@H]3CCCN3C)CC2)cn1.CC(C)c1ccc(N2CCC(O)([C@H]3CCCN3C)CC2)cn1.CC(C)c1ccc(N2CCCC(O)(CN(C)C3CC3)C2)cn1.CC(C)c1ccc(N2CCC[C@](O)(CN(C)C3CC3)C2)cn1.CC(C)c1ccc(N2CCOCC2)c(CN(C)C)n1.CC(C)c1ccc(OC2CCOCC2)c(CN(C)C)n1
InChIInChI=1S/5C18H29N3O.C17H28N2O2.3C16H26N2O2.C15H25N3O.C15H24N2O/c2*1-14(2)17-8-7-16(11-19-17)21-10-4-9-18(22,13-21)12-20(3)15-5-6-15;3*1-14(2)16-7-6-15(13-19-16)21-11-8-18(22,9-12-21)17-5-4-10-20(17)3;1-14(2)16-6-5-15(13-18-16)17(7-10-20-11-8-17)21-12-9-19(3)4;1-12(2)15-9-13(11-18(3)4)14(10-17-15)16(19)5-7-20-8-6-16;1-12(2)14-5-6-16(15(17-14)11-18(3)4)20-13-7-9-19-10-8-13;1-12(2)14-6-5-13(15(17-14)11-18(3)4)16(19)7-9-20-10-8-16;1-12(2)13-5-6-15(14(16-13)11-17(3)4)18-7-9-19-10-8-18;1-12(2)14-6-5-13(11-16-14)15(17(3)4)7-9-18-10-8-15/h2*7-8,11,14-15,22H,4-6,9-10,12-13H2,1-3H3;3*6-7,13-14,17,22H,4-5,8-12H2,1-3H3;5-6,13-14H,7-12H2,1-4H3;9-10,12,19H,5-8,11H2,1-4H3;5-6,12-13H,7-11H2,1-4H3;5-6,12,19H,7-11H2,1-4H3;5-6,12H,7-11H2,1-4H3;5-6,11-12H,7-10H2,1-4H3/t18-;;2*17-;;;;;;;/m0.10......./s1
InChIKeyASSYRGPSLPJULT-RVNDWDBBSA-N
XLogP28.17
TPSA412.32 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds45
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003156.62
LogP ≤ 528.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Analyze 3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2R)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2S)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2R)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2S)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol?
The IUPAC name of 3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2R)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2S)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol (CID 157218857) is 3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2R)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2S)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol.
What is the SMILES notation for 3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2R)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2S)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol?
The canonical SMILES for 3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2R)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2S)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol is CC(C)c1cc(CN(C)C)c(C2(O)CCOCC2)cn1.CC(C)c1ccc(C2(N(C)C)CCOCC2)cn1.CC(C)c1ccc(C2(O)CCOCC2)c(CN(C)C)n1.CC(C)c1ccc(C2(OCCN(C)C)CCOCC2)cn1.CC(C)c1ccc(N2CCC(O)(C3CCCN3C)CC2)cn1.CC(C)c1ccc(N2CCC(O)([C@@H]3CCCN3C)CC2)cn1.CC(C)c1ccc(N2CCC(O)([C@H]3CCCN3C)CC2)cn1.CC(C)c1ccc(N2CCCC(O)(CN(C)C3CC3)C2)cn1.CC(C)c1ccc(N2CCC[C@](O)(CN(C)C3CC3)C2)cn1.CC(C)c1ccc(N2CCOCC2)c(CN(C)C)n1.CC(C)c1ccc(OC2CCOCC2)c(CN(C)C)n1.
What is the InChIKey of 3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2R)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2S)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol?
The InChIKey is ASSYRGPSLPJULT-RVNDWDBBSA-N. The full InChI is InChI=1S/5C18H29N3O.C17H28N2O2.3C16H26N2O2.C15H25N3O.C15H24N2O/c2*1-14(2)17-8-7-16(11-19-17)21-10-4-9-18(22,13-21)12-20(3)15-5-6-15;3*1-14(2)16-7-6-15(13-19-16)21-11-8-18(22,9-12-21)17-5-4-10-20(17)3;1-14(2)16-6-5-15(13-18-16)17(7-10-20-11-8-17)21-12-9-19(3)4;1-12(2)15-9-13(11-18(3)4)14(10-17-15)16(19)5-7-20-8-6-16;1-12(2)14-5-6-16(15(17-14)11-18(3)4)20-13-7-9-19-10-8-13;1-12(2)14-6-5-13(15(17-14)11-18(3)4)16(19)7-9-20-10-8-16;1-12(2)13-5-6-15(14(16-13)11-17(3)4)18-7-9-19-10-8-18;1-12(2)14-6-5-13(11-16-14)15(17(3)4)7-9-18-10-8-15/h2*7-8,11,14-15,22H,4-6,9-10,12-13H2,1-3H3;3*6-7,13-14,17,22H,4-5,8-12H2,1-3H3;5-6,13-14H,7-12H2,1-4H3;9-10,12,19H,5-8,11H2,1-4H3;5-6,12-13H,7-11H2,1-4H3;5-6,12,19H,7-11H2,1-4H3;5-6,12H,7-11H2,1-4H3;5-6,11-12H,7-10H2,1-4H3/t18-;;2*17-;;;;;;;/m0.10......./s1.
What are the key properties of 3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2R)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2S)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol?
3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2R)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2S)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol has a molecular weight of 3156.62 g/mol, XLogP of 28.17, 45 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[[cyclopropyl(methyl)amino]methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-(3-morpholin-4-yl-6-propan-2-yl-2-pyridinyl)methanamine;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;4-(1-methylpyrrolidin-2-yl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2R)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(2S)-1-methylpyrrolidin-2-yl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol is sourced from PubChem (CID 157218857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).