ethyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;ethyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)azetidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-fluoropyridine-3-carboxylate

C131H192Br4Cl2FN21O19 — CID 157366941

About ethyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;ethyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)azetidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-fluoropyridine-3-carboxylate

ethyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;ethyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)azetidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-fluoropyridine-3-carboxylate (PubChem CID 157366941) has the molecular formula C131H192Br4Cl2FN21O19 and a molecular weight of 2774.62 g/mol. Its IUPAC name is ethyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;ethyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)azetidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-fluoropyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;ethyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)azetidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-fluoropyridine-3-carboxylate
• PubChem CID: 157366941
• Molecular Formula: C131H192Br4Cl2FN21O19
• Molecular Weight: 2774.62 g/mol
• Exact Mass: 2768.08
• IUPAC Name: ethyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;ethyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)azetidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-fluoropyridine-3-carboxylate
• SMILES: CCOC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(CO)C1.CCOC(=O)c1cc(Cl)cnc1N1CCC(NC2CCCCC2)C(CO)C1.COC(=O)c1cc(Br)cnc1N1CC(NC2CCCCC2)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(CO)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(OC)C1.COC(=O)c1cc(Cl)cnc1N1CCC(NC2CCCCC2)C(CO)C1.COC(=O)c1cc(F)cnc1N1CCC(NC2CCCCC2)CC1
• InChI: InChI=1S/C20H30BrN3O3.C20H30ClN3O3.2C19H28BrN3O3.C19H28ClN3O3.C18H26FN3O2.C16H22BrN3O2/c2*1-2-27-20(26)17-10-15(21)11-22-19(17)24-9-8-18(14(12-24)13-25)23-16-6-4-3-5-7-16;1-25-17-12-23(9-8-16(17)22-14-6-4-3-5-7-14)18-15(19(24)26-2)10-13(20)11-21-18;2*1-26-19(25)16-9-14(20)10-21-18(16)23-8-7-17(13(11-23)12-24)22-15-5-3-2-4-6-15;1-24-18(23)16-11-13(19)12-20-17(16)22-9-7-15(8-10-22)21-14-5-3-2-4-6-14;1-22-16(21)14-7-11(17)8-18-15(14)20-9-13(10-20)19-12-5-3-2-4-6-12/h2*10-11,14,16,18,23,25H,2-9,12-13H2,1H3;10-11,14,16-17,22H,3-9,12H2,1-2H3;2*9-10,13,15,17,22,24H,2-8,11-12H2,1H3;11-12,14-15,21H,2-10H2,1H3;7-8,12-13,19H,2-6,9-10H2,1H3
• InChIKey: BJHKDTCIEUVULA-UHFFFAOYSA-N
• XLogP: 20.31
• TPSA: 471.37 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 40
• Rotatable Bonds: 35
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2774.62
LogP ≤ 5	20.31
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;ethyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)azetidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-fluoropyridine-3-carboxylate?

The IUPAC name of ethyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;ethyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)azetidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-fluoropyridine-3-carboxylate (CID 157366941) is ethyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;ethyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)azetidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-fluoropyridine-3-carboxylate.

What is the SMILES notation for ethyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;ethyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)azetidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-fluoropyridine-3-carboxylate?

The canonical SMILES for ethyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;ethyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)azetidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-fluoropyridine-3-carboxylate is CCOC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(CO)C1.CCOC(=O)c1cc(Cl)cnc1N1CCC(NC2CCCCC2)C(CO)C1.COC(=O)c1cc(Br)cnc1N1CC(NC2CCCCC2)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(CO)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(OC)C1.COC(=O)c1cc(Cl)cnc1N1CCC(NC2CCCCC2)C(CO)C1.COC(=O)c1cc(F)cnc1N1CCC(NC2CCCCC2)CC1.

What is the InChIKey of ethyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;ethyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)azetidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-fluoropyridine-3-carboxylate?

The InChIKey is BJHKDTCIEUVULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30BrN3O3.C20H30ClN3O3.2C19H28BrN3O3.C19H28ClN3O3.C18H26FN3O2.C16H22BrN3O2/c2*1-2-27-20(26)17-10-15(21)11-22-19(17)24-9-8-18(14(12-24)13-25)23-16-6-4-3-5-7-16;1-25-17-12-23(9-8-16(17)22-14-6-4-3-5-7-14)18-15(19(24)26-2)10-13(20)11-21-18;2*1-26-19(25)16-9-14(20)10-21-18(16)23-8-7-17(13(11-23)12-24)22-15-5-3-2-4-6-15;1-24-18(23)16-11-13(19)12-20-17(16)22-9-7-15(8-10-22)21-14-5-3-2-4-6-14;1-22-16(21)14-7-11(17)8-18-15(14)20-9-13(10-20)19-12-5-3-2-4-6-12/h2*10-11,14,16,18,23,25H,2-9,12-13H2,1H3;10-11,14,16-17,22H,3-9,12H2,1-2H3;2*9-10,13,15,17,22,24H,2-8,11-12H2,1H3;11-12,14-15,21H,2-10H2,1H3;7-8,12-13,19H,2-6,9-10H2,1H3.

What are the key properties of ethyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;ethyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)azetidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-fluoropyridine-3-carboxylate?

ethyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;ethyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)azetidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-fluoropyridine-3-carboxylate has a molecular weight of 2774.62 g/mol, XLogP of 20.31, 35 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;ethyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[3-(cyclohexylamino)azetidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-fluoropyridine-3-carboxylate is sourced from PubChem (CID 157366941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).