N-benzyl-1-methyl-N-phenylpiperidin-4-amine

• ChemBase ID: 126022
• Molecular Formular: C19H24N2
• Molecular Mass: 280.40726
• Monoisotopic Mass: 280.19394878
• SMILES: N(c1ccccc1)(Cc1ccccc1)C1CCN(C)CC1
• Canonical SMILES: CN1CCC(CC1)N(c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C19H24N2/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
• InChIKey: VZSXTYKGYWISGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-1-methyl-N-phenylpiperidin-4-amine
• IUPAC Traditional name: bamipine
• Synonyms: Bamipine

Database IDs

• CAS Number: 4945-47-5
• PubChem SID: 162220365
• PubChem CID: 72075
• ATC CODE: D04AA15; R06AX01
• CHEMBL: 520400
• Chemspider ID: 65061
• KEGG ID: D07197
• Unique Ingredient Identifier: Y6BHZ28O92
• Wikipedia Title: Bamipine

CALCULATED PROPERTIES

• LogD (pH = 5.5): 0.7681778
• LogD (pH = 7.4): 2.4568958
• Log P: 3.832569
• Molar Refractivity: 90.5503 cm^3
• Polarizability: 34.835747 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral, topical