Benproperine

C₂₁H₂₇NO — CID 2326

About Benproperine

Benproperine (PubChem CID 2326) has the molecular formula C₂₁H₂₇NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine.

Molecular Properties

• Compound Name: Benproperine
• PubChem CID: 2326
• Molecular Formula: C₂₁H₂₇NO
• Molecular Weight: 309.45 g/mol
• Exact Mass: 309.21
• IUPAC Name: 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine
• SMILES: CC(COc1ccccc1Cc1ccccc1)N1CCCCC1
• InChI: InChI=1S/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3
• InChIKey: JTUQXGZRVLWBCR-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.45
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Benproperine?

The IUPAC name of Benproperine (CID 2326) is 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine.

What is the SMILES notation for Benproperine?

The canonical SMILES for Benproperine is CC(COc1ccccc1Cc1ccccc1)N1CCCCC1.

What is the InChIKey of Benproperine?

The InChIKey is JTUQXGZRVLWBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3.

What are the key properties of Benproperine?

Benproperine has a molecular weight of 309.45 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Benproperine is sourced from PubChem (CID 2326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2326 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5236 — approved-drug record (CC BY-SA 4.0)

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