5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate

C₁₁₀H₁₆₃Br₅N₂₀O₁₃ — CID 158735325

About 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate

5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate (PubChem CID 158735325) has the molecular formula C₁₁₀H₁₆₃Br₅N₂₀O₁₃ and a molecular weight of 2373.16 g/mol. Its IUPAC name is 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate.

Molecular Properties

• Compound Name: 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate
• PubChem CID: 158735325
• Molecular Formula: C₁₁₀H₁₆₃Br₅N₂₀O₁₃
• Molecular Weight: 2373.16 g/mol
• Exact Mass: 2366.86
• IUPAC Name: 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate
• SMILES: CCOC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1.CCc1cnc(N2CCC(NC3CCCCC3)C(O)C2)c(C(=O)OC)c1.Cc1cnc(N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)c(Br)c1.O=C=O.O=Cc1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1.[H]/N=C(\C)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1.[H]/N=C(\C)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1
• InChI: InChI=1S/C20H31N3O3.C19H28BrN3O3.2C18H27BrN4O.C17H24BrN3O2.C17H26BrN3O.CO2/c1-3-14-11-16(20(25)26-2)19(21-12-14)23-10-9-17(18(24)13-23)22-15-7-5-4-6-8-15;1-2-26-19(25)15-10-13(20)11-21-18(15)23-9-8-16(17(24)12-23)22-14-6-4-3-5-7-14;2*1-12(20)15-9-13(19)10-21-18(15)23-8-7-16(17(24)11-23)22-14-5-3-2-4-6-14;18-13-8-12(11-22)17(19-9-13)21-7-6-15(16(23)10-21)20-14-4-2-1-3-5-14;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;2-1-3/h11-12,15,17-18,22,24H,3-10,13H2,1-2H3;10-11,14,16-17,22,24H,2-9,12H2,1H3;2*9-10,14,16-17,20,22,24H,2-8,11H2,1H3;8-9,11,14-16,20,23H,1-7,10H2;9-10,13,15-16,20,22H,2-8,11H2,1H3;/b;;2*20-12+;;;/t;3*16-,17-;2*15-,16-;/m.11111./s1
• InChIKey: ILPJJJDIHHENCS-KRGDFAEBSA-N
• XLogP: 16.31
• TPSA: 441.85 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2373.16
LogP ≤ 5	16.31
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate?

The IUPAC name of 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate (CID 158735325) is 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate.

What is the SMILES notation for 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate?

The canonical SMILES for 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate is CCOC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1.CCc1cnc(N2CCC(NC3CCCCC3)C(O)C2)c(C(=O)OC)c1.Cc1cnc(N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)c(Br)c1.O=C=O.O=Cc1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1.[H]/N=C(\C)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1.[H]/N=C(\C)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1.

What is the InChIKey of 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate?

The InChIKey is ILPJJJDIHHENCS-KRGDFAEBSA-N. The full InChI is InChI=1S/C20H31N3O3.C19H28BrN3O3.2C18H27BrN4O.C17H24BrN3O2.C17H26BrN3O.CO2/c1-3-14-11-16(20(25)26-2)19(21-12-14)23-10-9-17(18(24)13-23)22-15-7-5-4-6-8-15;1-2-26-19(25)15-10-13(20)11-21-18(15)23-9-8-16(17(24)12-23)22-14-6-4-3-5-7-14;2*1-12(20)15-9-13(19)10-21-18(15)23-8-7-16(17(24)11-23)22-14-5-3-2-4-6-14;18-13-8-12(11-22)17(19-9-13)21-7-6-15(16(23)10-21)20-14-4-2-1-3-5-14;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;2-1-3/h11-12,15,17-18,22,24H,3-10,13H2,1-2H3;10-11,14,16-17,22,24H,2-9,12H2,1H3;2*9-10,14,16-17,20,22,24H,2-8,11H2,1H3;8-9,11,14-16,20,23H,1-7,10H2;9-10,13,15-16,20,22H,2-8,11H2,1H3;/b;;2*20-12+;;;/t;3*16-,17-;2*15-,16-;/m.11111./s1.

What are the key properties of 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate?

5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate has a molecular weight of 2373.16 g/mol, XLogP of 16.31, 25 rotatable bonds, 14 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate is sourced from PubChem (CID 158735325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158735325 — identifiers, structure, computed properties (public domain)

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