1-phenylpiperidine-4-carboxylic acid

• ChemBase ID: 294066
• Molecular Formular: C12H15NO2
• Molecular Mass: 205.253
• Monoisotopic Mass: 205.11027873
• SMILES: OC(=O)C1CCN(CC1)c1ccccc1
• Canonical SMILES: OC(=O)C1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C12H15NO2/c14-12(15)10-6-8-13(9-7-10)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,15)
• InChIKey: IXLCEJNZWAYHPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylpiperidine-4-carboxylic acid
• IUPAC Traditional name: 1-phenylpiperidine-4-carboxylic acid
• Synonyms: 1-Phenylpiperidine-4-carboxylic acid

Database IDs

• CAS Number: 94201-40-8
• PubChem SID: 180679597
• PubChem CID: 3023990

CALCULATED PROPERTIES

• Acid pKa: 4.577618
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.99271685
• LogD (pH = 7.4): -0.42669523
• Log P: 1.039641
• Molar Refractivity: 58.8685 cm^3
• Polarizability: 22.299192 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%