(8R)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C62H72N12O2 — CID 162069470

About (8R)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

(8R)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 162069470) has the molecular formula C62H72N12O2 and a molecular weight of 1017.34 g/mol. Its IUPAC name is (8R)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: (8R)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 162069470
• Molecular Formula: C62H72N12O2
• Molecular Weight: 1017.34 g/mol
• Exact Mass: 1016.59
• IUPAC Name: (8R)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1cc(/C=C/c2nc3n(n2)CCC[C@@H]3C2CCN(Cc3ccccc3)CC2)ccc1-n1cnc(C)c1.COc1cc(/C=C/c2nc3n(n2)CCC[C@H]3C2CCN(Cc3ccccc3)CC2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/2C31H36N6O/c2*1-23-20-36(22-32-23)28-12-10-24(19-29(28)38-2)11-13-30-33-31-27(9-6-16-37(31)34-30)26-14-17-35(18-15-26)21-25-7-4-3-5-8-25/h2*3-5,7-8,10-13,19-20,22,26-27H,6,9,14-18,21H2,1-2H3/b2*13-11+/t2*27-/m10/s1
• InChIKey: ZAWOYTBDFHQMCN-ZLZJSJDNSA-N
• XLogP: 11.48
• TPSA: 122.00 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1017.34
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (8R)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of (8R)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 162069470) is (8R)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for (8R)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for (8R)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(/C=C/c2nc3n(n2)CCC[C@@H]3C2CCN(Cc3ccccc3)CC2)ccc1-n1cnc(C)c1.COc1cc(/C=C/c2nc3n(n2)CCC[C@H]3C2CCN(Cc3ccccc3)CC2)ccc1-n1cnc(C)c1.

What is the InChIKey of (8R)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is ZAWOYTBDFHQMCN-ZLZJSJDNSA-N. The full InChI is InChI=1S/2C31H36N6O/c2*1-23-20-36(22-32-23)28-12-10-24(19-29(28)38-2)11-13-30-33-31-27(9-6-16-37(31)34-30)26-14-17-35(18-15-26)21-25-7-4-3-5-8-25/h2*3-5,7-8,10-13,19-20,22,26-27H,6,9,14-18,21H2,1-2H3/b2*13-11+/t2*27-/m10/s1.

What are the key properties of (8R)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

(8R)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 1017.34 g/mol, XLogP of 11.48, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 162069470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).