Dihexyverine

C₂₀H₃₅NO₂ — CID 21788

About Dihexyverine

Dihexyverine (PubChem CID 21788) has the molecular formula C₂₀H₃₅NO₂ and a molecular weight of 321.51 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: Dihexyverine
• PubChem CID: 21788
• Molecular Formula: C₂₀H₃₅NO₂
• Molecular Weight: 321.51 g/mol
• Exact Mass: 321.27
• IUPAC Name: 2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate
• SMILES: O=C(OCCN1CCCCC1)C1(C2CCCCC2)CCCCC1
• InChI: InChI=1S/C20H35NO2/c22-19(23-17-16-21-14-8-3-9-15-21)20(12-6-2-7-13-20)18-10-4-1-5-11-18/h18H,1-17H2
• InChIKey: MNSQDVCVWNXBFQ-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.51
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Dihexyverine?

The IUPAC name of Dihexyverine (CID 21788) is 2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate.

What is the SMILES notation for Dihexyverine?

The canonical SMILES for Dihexyverine is O=C(OCCN1CCCCC1)C1(C2CCCCC2)CCCCC1.

What is the InChIKey of Dihexyverine?

The InChIKey is MNSQDVCVWNXBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2/c22-19(23-17-16-21-14-8-3-9-15-21)20(12-6-2-7-13-20)18-10-4-1-5-11-18/h18H,1-17H2.

What are the key properties of Dihexyverine?

Dihexyverine has a molecular weight of 321.51 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Dihexyverine is sourced from PubChem (CID 21788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 21788 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 883 — approved-drug record (CC BY-SA 4.0)

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