ethyl 5-bromo-2-[4-[[(2S)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;ethyl 4-chloro-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]-6-methylpyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(3-hydroxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-hydroxycyclopentyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-hydroxyethylamino)piperidin-1-yl]pyridine-3-carboxylate

C124H180Br6ClN21O20 — CID 158000688

About ethyl 5-bromo-2-[4-[[(2S)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;ethyl 4-chloro-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]-6-methylpyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(3-hydroxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-hydroxycyclopentyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-hydroxyethylamino)piperidin-1-yl]pyridine-3-carboxylate

ethyl 5-bromo-2-[4-[[(2S)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;ethyl 4-chloro-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]-6-methylpyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(3-hydroxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-hydroxycyclopentyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-hydroxyethylamino)piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 158000688) has the molecular formula C124H180Br6ClN21O20 and a molecular weight of 2799.81 g/mol. Its IUPAC name is ethyl 5-bromo-2-[4-[[(2S)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;ethyl 4-chloro-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]-6-methylpyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(3-hydroxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-hydroxycyclopentyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-hydroxyethylamino)piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-bromo-2-[4-[[(2S)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;ethyl 4-chloro-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]-6-methylpyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(3-hydroxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-hydroxycyclopentyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-hydroxyethylamino)piperidin-1-yl]pyridine-3-carboxylate
• PubChem CID: 158000688
• Molecular Formula: C124H180Br6ClN21O20
• Molecular Weight: 2799.81 g/mol
• Exact Mass: 2791.85
• IUPAC Name: ethyl 5-bromo-2-[4-[[(2S)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;ethyl 4-chloro-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]-6-methylpyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(3-hydroxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-hydroxycyclopentyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-hydroxyethylamino)piperidin-1-yl]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1c(Cl)cc(C)nc1N1CCC(NC2CCCC[C@H]2O)CC1.CCOC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC[C@@H]2O)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC(O)C2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC2O)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC[C@H]2O)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NCCO)CC1
• InChI: InChI=1S/C20H30ClN3O3.C19H28BrN3O3.2C18H26BrN3O3.C18H26BrN3O2.C17H24BrN3O3.C14H20BrN3O3/c1-3-27-20(26)18-15(21)12-13(2)22-19(18)24-10-8-14(9-11-24)23-16-6-4-5-7-17(16)25;1-2-26-19(25)15-11-13(20)12-21-18(15)23-9-7-14(8-10-23)22-16-5-3-4-6-17(16)24;1-25-18(24)16-9-12(19)11-20-17(16)22-7-5-13(6-8-22)21-14-3-2-4-15(23)10-14;1-25-18(24)14-10-12(19)11-20-17(14)22-8-6-13(7-9-22)21-15-4-2-3-5-16(15)23;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;1-24-17(23)13-9-11(18)10-19-16(13)21-7-5-12(6-8-21)20-14-3-2-4-15(14)22;1-21-14(20)12-8-10(15)9-17-13(12)18-5-2-11(3-6-18)16-4-7-19/h12,14,16-17,23,25H,3-11H2,1-2H3;11-12,14,16-17,22,24H,2-10H2,1H3;9,11,13-15,21,23H,2-8,10H2,1H3;10-11,13,15-16,21,23H,2-9H2,1H3;11-12,14-15,21H,2-10H2,1H3;9-10,12,14-15,20,22H,2-8H2,1H3;8-9,11,16,19H,2-7H2,1H3/t2*16?,17-;;15?,16-;;;/m10.1.../s1
• InChIKey: FDRRYVMNUCOIRT-PDRINCQPSA-N
• XLogP: 17.76
• TPSA: 502.60 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 41
• Rotatable Bonds: 31
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2799.81
LogP ≤ 5	17.76
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	41

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-[[(2S)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;ethyl 4-chloro-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]-6-methylpyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(3-hydroxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-hydroxycyclopentyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-hydroxyethylamino)piperidin-1-yl]pyridine-3-carboxylate?

The IUPAC name of ethyl 5-bromo-2-[4-[[(2S)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;ethyl 4-chloro-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]-6-methylpyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(3-hydroxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-hydroxycyclopentyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-hydroxyethylamino)piperidin-1-yl]pyridine-3-carboxylate (CID 158000688) is ethyl 5-bromo-2-[4-[[(2S)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;ethyl 4-chloro-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]-6-methylpyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(3-hydroxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-hydroxycyclopentyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-hydroxyethylamino)piperidin-1-yl]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 5-bromo-2-[4-[[(2S)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;ethyl 4-chloro-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]-6-methylpyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(3-hydroxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-hydroxycyclopentyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-hydroxyethylamino)piperidin-1-yl]pyridine-3-carboxylate?

The canonical SMILES for ethyl 5-bromo-2-[4-[[(2S)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;ethyl 4-chloro-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]-6-methylpyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(3-hydroxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-hydroxycyclopentyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-hydroxyethylamino)piperidin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1c(Cl)cc(C)nc1N1CCC(NC2CCCC[C@H]2O)CC1.CCOC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC[C@@H]2O)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC(O)C2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC2O)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC[C@H]2O)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NCCO)CC1.

What is the InChIKey of ethyl 5-bromo-2-[4-[[(2S)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;ethyl 4-chloro-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]-6-methylpyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(3-hydroxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-hydroxycyclopentyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-hydroxyethylamino)piperidin-1-yl]pyridine-3-carboxylate?

The InChIKey is FDRRYVMNUCOIRT-PDRINCQPSA-N. The full InChI is InChI=1S/C20H30ClN3O3.C19H28BrN3O3.2C18H26BrN3O3.C18H26BrN3O2.C17H24BrN3O3.C14H20BrN3O3/c1-3-27-20(26)18-15(21)12-13(2)22-19(18)24-10-8-14(9-11-24)23-16-6-4-5-7-17(16)25;1-2-26-19(25)15-11-13(20)12-21-18(15)23-9-7-14(8-10-23)22-16-5-3-4-6-17(16)24;1-25-18(24)16-9-12(19)11-20-17(16)22-7-5-13(6-8-22)21-14-3-2-4-15(23)10-14;1-25-18(24)14-10-12(19)11-20-17(14)22-8-6-13(7-9-22)21-15-4-2-3-5-16(15)23;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;1-24-17(23)13-9-11(18)10-19-16(13)21-7-5-12(6-8-21)20-14-3-2-4-15(14)22;1-21-14(20)12-8-10(15)9-17-13(12)18-5-2-11(3-6-18)16-4-7-19/h12,14,16-17,23,25H,3-11H2,1-2H3;11-12,14,16-17,22,24H,2-10H2,1H3;9,11,13-15,21,23H,2-8,10H2,1H3;10-11,13,15-16,21,23H,2-9H2,1H3;11-12,14-15,21H,2-10H2,1H3;9-10,12,14-15,20,22H,2-8H2,1H3;8-9,11,16,19H,2-7H2,1H3/t2*16?,17-;;15?,16-;;;/m10.1.../s1.

What are the key properties of ethyl 5-bromo-2-[4-[[(2S)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;ethyl 4-chloro-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]-6-methylpyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(3-hydroxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-hydroxycyclopentyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-hydroxyethylamino)piperidin-1-yl]pyridine-3-carboxylate?

ethyl 5-bromo-2-[4-[[(2S)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;ethyl 4-chloro-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]-6-methylpyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(3-hydroxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-hydroxycyclopentyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-hydroxyethylamino)piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 2799.81 g/mol, XLogP of 17.76, 31 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-bromo-2-[4-[[(2S)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;ethyl 4-chloro-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]-6-methylpyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[[(2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(3-hydroxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-[(2-hydroxycyclopentyl)amino]piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(2-hydroxyethylamino)piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 158000688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).