Piridocaine

C₁₄H₂₀N₂O₂ — CID 6875

About Piridocaine

Piridocaine (PubChem CID 6875) has the molecular formula C₁₄H₂₀N₂O₂ and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-piperidin-2-ylethyl 2-aminobenzoate.

Molecular Properties

• Compound Name: Piridocaine
• PubChem CID: 6875
• Molecular Formula: C₁₄H₂₀N₂O₂
• Molecular Weight: 248.33 g/mol
• Exact Mass: 248.15
• IUPAC Name: 2-piperidin-2-ylethyl 2-aminobenzoate
• SMILES: Nc1ccccc1C(=O)OCCC1CCCCN1
• InChI: InChI=1S/C14H20N2O2/c15-13-7-2-1-6-12(13)14(17)18-10-8-11-5-3-4-9-16-11/h1-2,6-7,11,16H,3-5,8-10,15H2
• InChIKey: BMIJYAZXNZEMLI-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 64.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.33
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Piridocaine?

The IUPAC name of Piridocaine (CID 6875) is 2-piperidin-2-ylethyl 2-aminobenzoate.

What is the SMILES notation for Piridocaine?

The canonical SMILES for Piridocaine is Nc1ccccc1C(=O)OCCC1CCCCN1.

What is the InChIKey of Piridocaine?

The InChIKey is BMIJYAZXNZEMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-13-7-2-1-6-12(13)14(17)18-10-8-11-5-3-4-9-16-11/h1-2,6-7,11,16H,3-5,8-10,15H2.

What are the key properties of Piridocaine?

Piridocaine has a molecular weight of 248.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Piridocaine is sourced from PubChem (CID 6875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6875 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3477 — approved-drug record (CC BY-SA 4.0)

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