Tolperisone

C₁₆H₂₃NO — CID 5511

About Tolperisone

Tolperisone (PubChem CID 5511) has the molecular formula C₁₆H₂₃NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

• Compound Name: Tolperisone
• PubChem CID: 5511
• Molecular Formula: C₁₆H₂₃NO
• Molecular Weight: 245.37 g/mol
• Exact Mass: 245.18
• IUPAC Name: 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
• SMILES: Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1
• InChI: InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3
• InChIKey: FSKFPVLPFLJRQB-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 20.31 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	245.37
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Tolperisone?

The IUPAC name of Tolperisone (CID 5511) is 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one.

What is the SMILES notation for Tolperisone?

The canonical SMILES for Tolperisone is Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1.

What is the InChIKey of Tolperisone?

The InChIKey is FSKFPVLPFLJRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3.

What are the key properties of Tolperisone?

Tolperisone has a molecular weight of 245.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Tolperisone is sourced from PubChem (CID 5511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5511 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2703 — approved-drug record (CC BY-SA 4.0)

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