[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 2-chloropyridine-4-carboxylate;methyl 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylate

C65H70ClN15O11 — CID 158893628

About [(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 2-chloropyridine-4-carboxylate;methyl 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylate

[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 2-chloropyridine-4-carboxylate;methyl 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylate (PubChem CID 158893628) has the molecular formula C65H70ClN15O11 and a molecular weight of 1272.82 g/mol. Its IUPAC name is [(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 2-chloropyridine-4-carboxylate;methyl 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylate.

Molecular Properties

• Compound Name: [(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 2-chloropyridine-4-carboxylate;methyl 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylate
• PubChem CID: 158893628
• Molecular Formula: C65H70ClN15O11
• Molecular Weight: 1272.82 g/mol
• Exact Mass: 1271.51
• IUPAC Name: [(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 2-chloropyridine-4-carboxylate;methyl 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylate
• SMILES: COC(=O)c1ccnc(Cl)c1.COC(=O)c1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1.C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](Oc2cc(CO)ccn2)CN1C(=O)c1ccccc1-n1nccn1
• InChI: InChI=1S/C22H23N5O4.C21H23N5O3.C15H18N4O2.C7H6ClNO2/c1-15-7-8-17(31-20-13-16(9-10-23-20)22(29)30-2)14-26(15)21(28)18-5-3-4-6-19(18)27-24-11-12-25-27;1-15-6-7-17(29-20-12-16(14-27)8-9-22-20)13-25(15)21(28)18-4-2-3-5-19(18)26-23-10-11-24-26;1-11-6-7-12(20)10-18(11)15(21)13-4-2-3-5-14(13)19-16-8-9-17-19;1-11-7(10)5-2-3-9-6(8)4-5/h3-6,9-13,15,17H,7-8,14H2,1-2H3;2-5,8-12,15,17,27H,6-7,13-14H2,1H3;2-5,8-9,11-12,20H,6-7,10H2,1H3;2-4H,1H3/t2*15-,17-;11-,12-;/m111./s1
• InChIKey: JEOBSPHTQXPXSP-KSBSWUEWSA-N
• XLogP: 7.52
• TPSA: 303.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1272.82
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 2-chloropyridine-4-carboxylate;methyl 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylate?

The IUPAC name of [(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 2-chloropyridine-4-carboxylate;methyl 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylate (CID 158893628) is [(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 2-chloropyridine-4-carboxylate;methyl 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylate.

What is the SMILES notation for [(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 2-chloropyridine-4-carboxylate;methyl 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylate?

The canonical SMILES for [(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 2-chloropyridine-4-carboxylate;methyl 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylate is COC(=O)c1ccnc(Cl)c1.COC(=O)c1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1.C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](Oc2cc(CO)ccn2)CN1C(=O)c1ccccc1-n1nccn1.

What is the InChIKey of [(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 2-chloropyridine-4-carboxylate;methyl 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylate?

The InChIKey is JEOBSPHTQXPXSP-KSBSWUEWSA-N. The full InChI is InChI=1S/C22H23N5O4.C21H23N5O3.C15H18N4O2.C7H6ClNO2/c1-15-7-8-17(31-20-13-16(9-10-23-20)22(29)30-2)14-26(15)21(28)18-5-3-4-6-19(18)27-24-11-12-25-27;1-15-6-7-17(29-20-12-16(14-27)8-9-22-20)13-25(15)21(28)18-4-2-3-5-19(18)26-23-10-11-24-26;1-11-6-7-12(20)10-18(11)15(21)13-4-2-3-5-14(13)19-16-8-9-17-19;1-11-7(10)5-2-3-9-6(8)4-5/h3-6,9-13,15,17H,7-8,14H2,1-2H3;2-5,8-12,15,17,27H,6-7,13-14H2,1H3;2-5,8-9,11-12,20H,6-7,10H2,1H3;2-4H,1H3/t2*15-,17-;11-,12-;/m111./s1.

What are the key properties of [(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 2-chloropyridine-4-carboxylate;methyl 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylate?

[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 2-chloropyridine-4-carboxylate;methyl 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylate has a molecular weight of 1272.82 g/mol, XLogP of 7.52, 13 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 2-chloropyridine-4-carboxylate;methyl 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylate is sourced from PubChem (CID 158893628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).