potassium;sodium;benzyl (2R,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate;8-chloroimidazo[1,2-a]pyrazine;ethanethioate;[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methanolate;[(2R,5S)-5-methoxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3S,6R)-6-methylpiperidin-3-ol;[(2R,5R)-2-methyl-5-sulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl thiohypochlorite;S-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate;2-(triazol-2-yl)benzoic acid

C102H128Cl2KN24NaO15S4 — CID 161239768

About potassium;sodium;benzyl (2R,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate;8-chloroimidazo[1,2-a]pyrazine;ethanethioate;[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methanolate;[(2R,5S)-5-methoxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3S,6R)-6-methylpiperidin-3-ol;[(2R,5R)-2-methyl-5-sulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl thiohypochlorite;S-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate;2-(triazol-2-yl)benzoic acid

potassium;sodium;benzyl (2R,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate;8-chloroimidazo[1,2-a]pyrazine;ethanethioate;[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methanolate;[(2R,5S)-5-methoxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3S,6R)-6-methylpiperidin-3-ol;[(2R,5R)-2-methyl-5-sulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl thiohypochlorite;S-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate;2-(triazol-2-yl)benzoic acid (PubChem CID 161239768) has the molecular formula C102H128Cl2KN24NaO15S4 and a molecular weight of 2191.56 g/mol. Its IUPAC name is potassium;sodium;benzyl (2R,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate;8-chloroimidazo[1,2-a]pyrazine;ethanethioate;[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methanolate;[(2R,5S)-5-methoxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3S,6R)-6-methylpiperidin-3-ol;[(2R,5R)-2-methyl-5-sulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl thiohypochlorite;S-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate;2-(triazol-2-yl)benzoic acid.

Molecular Properties

• Compound Name: potassium;sodium;benzyl (2R,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate;8-chloroimidazo[1,2-a]pyrazine;ethanethioate;[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methanolate;[(2R,5S)-5-methoxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3S,6R)-6-methylpiperidin-3-ol;[(2R,5R)-2-methyl-5-sulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl thiohypochlorite;S-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate;2-(triazol-2-yl)benzoic acid
• PubChem CID: 161239768
• Molecular Formula: C102H128Cl2KN24NaO15S4
• Molecular Weight: 2191.56 g/mol
• Exact Mass: 2188.78
• IUPAC Name: potassium;sodium;benzyl (2R,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate;8-chloroimidazo[1,2-a]pyrazine;ethanethioate;[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methanolate;[(2R,5S)-5-methoxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3S,6R)-6-methylpiperidin-3-ol;[(2R,5R)-2-methyl-5-sulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl thiohypochlorite;S-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate;2-(triazol-2-yl)benzoic acid
• SMILES: CC(=O)S[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1.CC(=O)[S-].CO[C@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1.CSCl.C[C@@H]1CC[C@@H](S)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@H](O)CN1.C[C@@H]1CC[C@H](O)CN1C(=O)OCc1ccccc1.C[C@@H]1CC[C@H](O)CN1C(=O)c1ccccc1-n1nccn1.C[O-].Clc1nccn2ccnc12.O=C(O)c1ccccc1-n1nccn1.[K+].[Na+]
• InChI: InChI=1S/C17H20N4O2S.C16H20N4O2.C15H18N4O2.C15H18N4OS.C14H19NO3.C9H7N3O2.C6H4ClN3.C6H13NO.C2H4OS.CH3ClS.CH3O.K.Na/c1-12-7-8-14(24-13(2)22)11-20(12)17(23)15-5-3-4-6-16(15)21-18-9-10-19-21;1-12-7-8-13(22-2)11-19(12)16(21)14-5-3-4-6-15(14)20-17-9-10-18-20;1-11-6-7-12(20)10-18(11)15(21)13-4-2-3-5-14(13)19-16-8-9-17-19;1-11-6-7-12(21)10-18(11)15(20)13-4-2-3-5-14(13)19-16-8-9-17-19;1-11-7-8-13(16)9-15(11)14(17)18-10-12-5-3-2-4-6-12;13-9(14)7-3-1-2-4-8(7)12-10-5-6-11-12;7-5-6-9-2-4-10(6)3-1-8-5;1-5-2-3-6(8)4-7-5;1-2(3)4;1-3-2;1-2;;/h3-6,9-10,12,14H,7-8,11H2,1-2H3;3-6,9-10,12-13H,7-8,11H2,1-2H3;2-5,8-9,11-12,20H,6-7,10H2,1H3;2-5,8-9,11-12,21H,6-7,10H2,1H3;2-6,11,13,16H,7-10H2,1H3;1-6H,(H,13,14);1-4H;5-8H,2-4H2,1H3;1H3,(H,3,4);1H3;1H3;;/q;;;;;;;;;;-1;2*+1/p-1/t12-,14-;12-,13+;11-,12+;11-,12-;11-,13+;;;5-,6+;;;;;/m11111..1...../s1
• InChIKey: UZVOPOCOQUSHCH-ZRJXVPEGSA-M
• XLogP: 7.09
• TPSA: 470.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 14
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2191.56
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;benzyl (2R,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate;8-chloroimidazo[1,2-a]pyrazine;ethanethioate;[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methanolate;[(2R,5S)-5-methoxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3S,6R)-6-methylpiperidin-3-ol;[(2R,5R)-2-methyl-5-sulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl thiohypochlorite;S-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate;2-(triazol-2-yl)benzoic acid?

The IUPAC name of potassium;sodium;benzyl (2R,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate;8-chloroimidazo[1,2-a]pyrazine;ethanethioate;[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methanolate;[(2R,5S)-5-methoxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3S,6R)-6-methylpiperidin-3-ol;[(2R,5R)-2-methyl-5-sulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl thiohypochlorite;S-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate;2-(triazol-2-yl)benzoic acid (CID 161239768) is potassium;sodium;benzyl (2R,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate;8-chloroimidazo[1,2-a]pyrazine;ethanethioate;[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methanolate;[(2R,5S)-5-methoxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3S,6R)-6-methylpiperidin-3-ol;[(2R,5R)-2-methyl-5-sulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl thiohypochlorite;S-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate;2-(triazol-2-yl)benzoic acid.

What is the SMILES notation for potassium;sodium;benzyl (2R,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate;8-chloroimidazo[1,2-a]pyrazine;ethanethioate;[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methanolate;[(2R,5S)-5-methoxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3S,6R)-6-methylpiperidin-3-ol;[(2R,5R)-2-methyl-5-sulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl thiohypochlorite;S-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate;2-(triazol-2-yl)benzoic acid?

The canonical SMILES for potassium;sodium;benzyl (2R,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate;8-chloroimidazo[1,2-a]pyrazine;ethanethioate;[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methanolate;[(2R,5S)-5-methoxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3S,6R)-6-methylpiperidin-3-ol;[(2R,5R)-2-methyl-5-sulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl thiohypochlorite;S-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate;2-(triazol-2-yl)benzoic acid is CC(=O)S[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1.CC(=O)[S-].CO[C@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1.CSCl.C[C@@H]1CC[C@@H](S)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@H](O)CN1.C[C@@H]1CC[C@H](O)CN1C(=O)OCc1ccccc1.C[C@@H]1CC[C@H](O)CN1C(=O)c1ccccc1-n1nccn1.C[O-].Clc1nccn2ccnc12.O=C(O)c1ccccc1-n1nccn1.[K+].[Na+].

What is the InChIKey of potassium;sodium;benzyl (2R,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate;8-chloroimidazo[1,2-a]pyrazine;ethanethioate;[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methanolate;[(2R,5S)-5-methoxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3S,6R)-6-methylpiperidin-3-ol;[(2R,5R)-2-methyl-5-sulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl thiohypochlorite;S-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate;2-(triazol-2-yl)benzoic acid?

The InChIKey is UZVOPOCOQUSHCH-ZRJXVPEGSA-M. The full InChI is InChI=1S/C17H20N4O2S.C16H20N4O2.C15H18N4O2.C15H18N4OS.C14H19NO3.C9H7N3O2.C6H4ClN3.C6H13NO.C2H4OS.CH3ClS.CH3O.K.Na/c1-12-7-8-14(24-13(2)22)11-20(12)17(23)15-5-3-4-6-16(15)21-18-9-10-19-21;1-12-7-8-13(22-2)11-19(12)16(21)14-5-3-4-6-15(14)20-17-9-10-18-20;1-11-6-7-12(20)10-18(11)15(21)13-4-2-3-5-14(13)19-16-8-9-17-19;1-11-6-7-12(21)10-18(11)15(20)13-4-2-3-5-14(13)19-16-8-9-17-19;1-11-7-8-13(16)9-15(11)14(17)18-10-12-5-3-2-4-6-12;13-9(14)7-3-1-2-4-8(7)12-10-5-6-11-12;7-5-6-9-2-4-10(6)3-1-8-5;1-5-2-3-6(8)4-7-5;1-2(3)4;1-3-2;1-2;;/h3-6,9-10,12,14H,7-8,11H2,1-2H3;3-6,9-10,12-13H,7-8,11H2,1-2H3;2-5,8-9,11-12,20H,6-7,10H2,1H3;2-5,8-9,11-12,21H,6-7,10H2,1H3;2-6,11,13,16H,7-10H2,1H3;1-6H,(H,13,14);1-4H;5-8H,2-4H2,1H3;1H3,(H,3,4);1H3;1H3;;/q;;;;;;;;;;-1;2*+1/p-1/t12-,14-;12-,13+;11-,12+;11-,12-;11-,13+;;;5-,6+;;;;;/m11111..1...../s1.

What are the key properties of potassium;sodium;benzyl (2R,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate;8-chloroimidazo[1,2-a]pyrazine;ethanethioate;[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methanolate;[(2R,5S)-5-methoxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3S,6R)-6-methylpiperidin-3-ol;[(2R,5R)-2-methyl-5-sulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl thiohypochlorite;S-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate;2-(triazol-2-yl)benzoic acid?

potassium;sodium;benzyl (2R,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate;8-chloroimidazo[1,2-a]pyrazine;ethanethioate;[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methanolate;[(2R,5S)-5-methoxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3S,6R)-6-methylpiperidin-3-ol;[(2R,5R)-2-methyl-5-sulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl thiohypochlorite;S-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate;2-(triazol-2-yl)benzoic acid has a molecular weight of 2191.56 g/mol, XLogP of 7.09, 14 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;sodium;benzyl (2R,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate;8-chloroimidazo[1,2-a]pyrazine;ethanethioate;[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methanolate;[(2R,5S)-5-methoxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;(3S,6R)-6-methylpiperidin-3-ol;[(2R,5R)-2-methyl-5-sulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl thiohypochlorite;S-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate;2-(triazol-2-yl)benzoic acid is sourced from PubChem (CID 161239768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).