Cyclomethycaine

C₂₂H₃₃NO₃ — CID 10839

About Cyclomethycaine

Cyclomethycaine (PubChem CID 10839) has the molecular formula C₂₂H₃₃NO₃ and a molecular weight of 359.51 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate.

Molecular Properties

• Compound Name: Cyclomethycaine
• PubChem CID: 10839
• Molecular Formula: C₂₂H₃₃NO₃
• Molecular Weight: 359.51 g/mol
• Exact Mass: 359.25
• IUPAC Name: 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate
• SMILES: CC1CCCCN1CCCOC(=O)c1ccc(OC2CCCCC2)cc1
• InChI: InChI=1S/C22H33NO3/c1-18-8-5-6-15-23(18)16-7-17-25-22(24)19-11-13-21(14-12-19)26-20-9-3-2-4-10-20/h11-14,18,20H,2-10,15-17H2,1H3
• InChIKey: YLRNESBGEGGQBK-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 38.77 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.51
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Cyclomethycaine?

The IUPAC name of Cyclomethycaine (CID 10839) is 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate.

What is the SMILES notation for Cyclomethycaine?

The canonical SMILES for Cyclomethycaine is CC1CCCCN1CCCOC(=O)c1ccc(OC2CCCCC2)cc1.

What is the InChIKey of Cyclomethycaine?

The InChIKey is YLRNESBGEGGQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO3/c1-18-8-5-6-15-23(18)16-7-17-25-22(24)19-11-13-21(14-12-19)26-20-9-3-2-4-10-20/h11-14,18,20H,2-10,15-17H2,1H3.

What are the key properties of Cyclomethycaine?

Cyclomethycaine has a molecular weight of 359.51 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclomethycaine is sourced from PubChem (CID 10839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10839 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3123 — approved-drug record (CC BY-SA 4.0)

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