4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine

C₂₁H₂₄N₄ — CID 10806501

About 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine

4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine (PubChem CID 10806501) has the molecular formula C₂₁H₂₄N₄ and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine.

Molecular Properties

• Compound Name: 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
• PubChem CID: 10806501
• Molecular Formula: C₂₁H₂₄N₄
• Molecular Weight: 332.45 g/mol
• Exact Mass: 332.20
• IUPAC Name: 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
• SMILES: c1ccc(CCN2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)cc1
• InChI: InChI=1S/C21H24N4/c1-2-4-17(5-3-1)8-13-25-14-9-19(10-15-25)21-16-20(23-24-21)18-6-11-22-12-7-18/h1-7,11-12,16,19H,8-10,13-15H2,(H,23,24)
• InChIKey: HXHXEJHGUJSCBJ-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.45
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?

The IUPAC name of 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine (CID 10806501) is 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine.

What is the SMILES notation for 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?

The canonical SMILES for 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine is c1ccc(CCN2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)cc1.

What is the InChIKey of 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?

The InChIKey is HXHXEJHGUJSCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-4-17(5-3-1)8-13-25-14-9-19(10-15-25)21-16-20(23-24-21)18-6-11-22-12-7-18/h1-7,11-12,16,19H,8-10,13-15H2,(H,23,24).

What are the key properties of 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?

4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine has a molecular weight of 332.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 10806501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10806501 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.