4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine

C23H25ClN4 — CID 110093323

About 4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine

4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine (PubChem CID 110093323) has the molecular formula C23H25ClN4 and a molecular weight of 392.93 g/mol. Its IUPAC name is 4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine.

Molecular Properties

• Compound Name: 4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine
• PubChem CID: 110093323
• Molecular Formula: C23H25ClN4
• Molecular Weight: 392.93 g/mol
• Exact Mass: 392.18
• IUPAC Name: 4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine
• SMILES: Cc1cc(N2CCCC(c3ccc(Cc4ccc(Cl)cc4)cn3)C2)nc(C)n1
• InChI: InChI=1S/C23H25ClN4/c1-16-12-23(27-17(2)26-16)28-11-3-4-20(15-28)22-10-7-19(14-25-22)13-18-5-8-21(24)9-6-18/h5-10,12,14,20H,3-4,11,13,15H2,1-2H3
• InChIKey: ILFMSEMJRRPTJS-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.93
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine?

The IUPAC name of 4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine (CID 110093323) is 4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine.

What is the SMILES notation for 4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine?

The canonical SMILES for 4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine is Cc1cc(N2CCCC(c3ccc(Cc4ccc(Cl)cc4)cn3)C2)nc(C)n1.

What is the InChIKey of 4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine?

The InChIKey is ILFMSEMJRRPTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4/c1-16-12-23(27-17(2)26-16)28-11-3-4-20(15-28)22-10-7-19(14-25-22)13-18-5-8-21(24)9-6-18/h5-10,12,14,20H,3-4,11,13,15H2,1-2H3.

What are the key properties of 4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine?

4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine has a molecular weight of 392.93 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine is sourced from PubChem (CID 110093323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).