1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol

C20H30N6O — CID 70740331

About 1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol

1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (PubChem CID 70740331) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

• Compound Name: 1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
• PubChem CID: 70740331
• Molecular Formula: C20H30N6O
• Molecular Weight: 370.50 g/mol
• Exact Mass: 370.25
• IUPAC Name: 1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
• SMILES: Cn1c(CN2CCC(O)CC2)nnc1C1CCN(Cc2ccncc2)CC1
• InChI: InChI=1S/C20H30N6O/c1-24-19(15-26-12-6-18(27)7-13-26)22-23-20(24)17-4-10-25(11-5-17)14-16-2-8-21-9-3-16/h2-3,8-9,17-18,27H,4-7,10-15H2,1H3
• InChIKey: ZUDZUEVYZZBMIT-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 70.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.50
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?

The IUPAC name of 1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (CID 70740331) is 1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.

What is the SMILES notation for 1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?

The canonical SMILES for 1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is Cn1c(CN2CCC(O)CC2)nnc1C1CCN(Cc2ccncc2)CC1.

What is the InChIKey of 1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?

The InChIKey is ZUDZUEVYZZBMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-24-19(15-26-12-6-18(27)7-13-26)22-23-20(24)17-4-10-25(11-5-17)14-16-2-8-21-9-3-16/h2-3,8-9,17-18,27H,4-7,10-15H2,1H3.

What are the key properties of 1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?

1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol has a molecular weight of 370.50 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 70740331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).