methyl 1-benzylpiperidine-2-carboxylate

• ChemBase ID: 815702
• Molecular Formular: C14H19NO2
• Molecular Mass: 233.30616
• Monoisotopic Mass: 233.14157885
• SMILES: C1CCN(C(C1)C(=O)OC)Cc1ccccc1
• Canonical SMILES: COC(=O)C1CCCCN1Cc1ccccc1
• InChI: InChI=1S/C14H19NO2/c1-17-14(16)13-9-5-6-10-15(13)11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3
• InChIKey: BFVMYXXBFRSMJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-benzylpiperidine-2-carboxylate
• IUPAC Traditional name: methyl 1-benzylpiperidine-2-carboxylate
• Synonyms: methyl 1-benzylpiperidine-2-carboxylate

Database IDs

• CAS Number: 124619-69-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9561338
• LogD (pH = 7.4): 2.4104178
• Log P: 2.6008425
• Molar Refractivity: 67.3417 cm^3
• Polarizability: 26.621664 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%