1-[5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine);1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol;bis(carbon dioxide);ethanol;3-O-ethyl 5-O-methyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methanol

C113H171Br5N20O14 — CID 158202469

About 1-[5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine);1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol;bis(carbon dioxide);ethanol;3-O-ethyl 5-O-methyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methanol

1-[5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine);1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol;bis(carbon dioxide);ethanol;3-O-ethyl 5-O-methyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methanol (PubChem CID 158202469) has the molecular formula C113H171Br5N20O14 and a molecular weight of 2433.26 g/mol. Its IUPAC name is 1-[5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine);1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol;bis(carbon dioxide);ethanol;3-O-ethyl 5-O-methyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methanol.

Molecular Properties

• Compound Name: 1-[5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine);1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol;bis(carbon dioxide);ethanol;3-O-ethyl 5-O-methyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methanol
• PubChem CID: 158202469
• Molecular Formula: C113H171Br5N20O14
• Molecular Weight: 2433.26 g/mol
• Exact Mass: 2426.92
• IUPAC Name: 1-[5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine);1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol;bis(carbon dioxide);ethanol;3-O-ethyl 5-O-methyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methanol
• SMILES: CC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(O)C1.CCO.CCOC(=O)c1cc(C(=O)OC)c(C)nc1N1CCC(NC2CCCCC2)C1.CO.Cc1cnc(N2CCC(NC3CCCCC3)C(CO)C2)c(Br)c1.Cc1cnc(N2CCC(NC3CCCCC3)C(O)C2)c(Br)c1.O=C=O.O=C=O.[H]/N=C/c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1.[H]/N=C/c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1
• InChI: InChI=1S/C21H31N3O4.C18H26BrN3O2.C18H28BrN3O.2C17H25BrN4.C17H26BrN3O.C2H6O.2CO2.CH4O/c1-4-28-21(26)18-12-17(20(25)27-3)14(2)22-19(18)24-11-10-16(13-24)23-15-8-6-5-7-9-15;1-12(23)15-9-13(19)10-20-18(15)22-8-7-16(17(24)11-22)21-14-5-3-2-4-6-14;1-13-9-16(19)18(20-10-13)22-8-7-17(14(11-22)12-23)21-15-5-3-2-4-6-15;2*18-14-10-13(11-19)17(20-12-14)22-8-6-16(7-9-22)21-15-4-2-1-3-5-15;1-12-9-14(18)17(19-10-12)21-8-7-15(16(22)11-21)20-13-5-3-2-4-6-13;1-2-3;2*2-1-3;1-2/h12,15-16,23H,4-11,13H2,1-3H3;9-10,14,16-17,21,24H,2-8,11H2,1H3;9-10,14-15,17,21,23H,2-8,11-12H2,1H3;2*10-12,15-16,19,21H,1-9H2;9-10,13,15-16,20,22H,2-8,11H2,1H3;3H,2H2,1H3;;;2H,1H3/b;;;2*19-11+
• InChIKey: GBCKQRWLQMKUEI-OQIVKDDTSA-N
• XLogP: 17.95
• TPSA: 455.76 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2433.26
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine);1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol;bis(carbon dioxide);ethanol;3-O-ethyl 5-O-methyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methanol?

The IUPAC name of 1-[5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine);1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol;bis(carbon dioxide);ethanol;3-O-ethyl 5-O-methyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methanol (CID 158202469) is 1-[5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine);1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol;bis(carbon dioxide);ethanol;3-O-ethyl 5-O-methyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methanol.

What is the SMILES notation for 1-[5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine);1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol;bis(carbon dioxide);ethanol;3-O-ethyl 5-O-methyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methanol?

The canonical SMILES for 1-[5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine);1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol;bis(carbon dioxide);ethanol;3-O-ethyl 5-O-methyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methanol is CC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(O)C1.CCO.CCOC(=O)c1cc(C(=O)OC)c(C)nc1N1CCC(NC2CCCCC2)C1.CO.Cc1cnc(N2CCC(NC3CCCCC3)C(CO)C2)c(Br)c1.Cc1cnc(N2CCC(NC3CCCCC3)C(O)C2)c(Br)c1.O=C=O.O=C=O.[H]/N=C/c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1.[H]/N=C/c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1.

What is the InChIKey of 1-[5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine);1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol;bis(carbon dioxide);ethanol;3-O-ethyl 5-O-methyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methanol?

The InChIKey is GBCKQRWLQMKUEI-OQIVKDDTSA-N. The full InChI is InChI=1S/C21H31N3O4.C18H26BrN3O2.C18H28BrN3O.2C17H25BrN4.C17H26BrN3O.C2H6O.2CO2.CH4O/c1-4-28-21(26)18-12-17(20(25)27-3)14(2)22-19(18)24-11-10-16(13-24)23-15-8-6-5-7-9-15;1-12(23)15-9-13(19)10-20-18(15)22-8-7-16(17(24)11-22)21-14-5-3-2-4-6-14;1-13-9-16(19)18(20-10-13)22-8-7-17(14(11-22)12-23)21-15-5-3-2-4-6-15;2*18-14-10-13(11-19)17(20-12-14)22-8-6-16(7-9-22)21-15-4-2-1-3-5-15;1-12-9-14(18)17(19-10-12)21-8-7-15(16(22)11-21)20-13-5-3-2-4-6-13;1-2-3;2*2-1-3;1-2/h12,15-16,23H,4-11,13H2,1-3H3;9-10,14,16-17,21,24H,2-8,11H2,1H3;9-10,14-15,17,21,23H,2-8,11-12H2,1H3;2*10-12,15-16,19,21H,1-9H2;9-10,13,15-16,20,22H,2-8,11H2,1H3;3H,2H2,1H3;;;2H,1H3/b;;;2*19-11+;;;;;.

What are the key properties of 1-[5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine);1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol;bis(carbon dioxide);ethanol;3-O-ethyl 5-O-methyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methanol?

1-[5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine);1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol;bis(carbon dioxide);ethanol;3-O-ethyl 5-O-methyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methanol has a molecular weight of 2433.26 g/mol, XLogP of 17.95, 25 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-3-pyridinyl]ethanone;bis(1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine);1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol;bis(carbon dioxide);ethanol;3-O-ethyl 5-O-methyl 2-[3-(cyclohexylamino)pyrrolidin-1-yl]-6-methylpyridine-3,5-dicarboxylate;methanol is sourced from PubChem (CID 158202469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).