4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine

C23H27FN4 — CID 92617071

About 4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine

4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine (PubChem CID 92617071) has the molecular formula C23H27FN4 and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine.

Molecular Properties

• Compound Name: 4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine
• PubChem CID: 92617071
• Molecular Formula: C23H27FN4
• Molecular Weight: 378.50 g/mol
• Exact Mass: 378.22
• IUPAC Name: 4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine
• SMILES: Cc1cc(Cc2cccc(F)c2)cc(C2CCN(Cc3ccnn3C)CC2)n1
• InChI: InChI=1S/C23H27FN4/c1-17-12-19(13-18-4-3-5-21(24)14-18)15-23(26-17)20-7-10-28(11-8-20)16-22-6-9-25-27(22)2/h3-6,9,12,14-15,20H,7-8,10-11,13,16H2,1-2H3
• InChIKey: LOCDNNFJZUUAHB-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.50
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine?

The IUPAC name of 4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine (CID 92617071) is 4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine.

What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine?

The canonical SMILES for 4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine is Cc1cc(Cc2cccc(F)c2)cc(C2CCN(Cc3ccnn3C)CC2)n1.

What is the InChIKey of 4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine?

The InChIKey is LOCDNNFJZUUAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4/c1-17-12-19(13-18-4-3-5-21(24)14-18)15-23(26-17)20-7-10-28(11-8-20)16-22-6-9-25-27(22)2/h3-6,9,12,14-15,20H,7-8,10-11,13,16H2,1-2H3.

What are the key properties of 4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine?

4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine has a molecular weight of 378.50 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine is sourced from PubChem (CID 92617071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).