Diphenylpyraline

C₁₉H₂₃NO — CID 3103

About Diphenylpyraline

Diphenylpyraline (PubChem CID 3103) has the molecular formula C₁₉H₂₃NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-benzhydryloxy-1-methylpiperidine.

Molecular Properties

• Compound Name: Diphenylpyraline
• PubChem CID: 3103
• Molecular Formula: C₁₉H₂₃NO
• Molecular Weight: 281.40 g/mol
• Exact Mass: 281.18
• IUPAC Name: 4-benzhydryloxy-1-methylpiperidine
• SMILES: CN1CCC(OC(c2ccccc2)c2ccccc2)CC1
• InChI: InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
• InChIKey: OWQUZNMMYNAXSL-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.40
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Diphenylpyraline?

The IUPAC name of Diphenylpyraline (CID 3103) is 4-benzhydryloxy-1-methylpiperidine.

What is the SMILES notation for Diphenylpyraline?

The canonical SMILES for Diphenylpyraline is CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.

What is the InChIKey of Diphenylpyraline?

The InChIKey is OWQUZNMMYNAXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3.

What are the key properties of Diphenylpyraline?

Diphenylpyraline has a molecular weight of 281.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Diphenylpyraline is sourced from PubChem (CID 3103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3103 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 920 — approved-drug record (CC BY-SA 4.0)

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