ethyl 6-phenylpiperidine-2-carboxylate

• ChemBase ID: 811710
• Molecular Formular: C14H19NO2
• Molecular Mass: 233.30616
• Monoisotopic Mass: 233.14157885
• SMILES: C1CC(NC(C1)C(=O)OCC)c1ccccc1
• Canonical SMILES: CCOC(=O)C1CCCC(N1)c1ccccc1
• InChI: InChI=1S/C14H19NO2/c1-2-17-14(16)13-10-6-9-12(15-13)11-7-4-3-5-8-11/h3-5,7-8,12-13,15H,2,6,9-10H2,1H3
• InChIKey: DOYDSCPXUVCTPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-phenylpiperidine-2-carboxylate
• IUPAC Traditional name: ethyl 6-phenylpiperidine-2-carboxylate
• Synonyms: ETHYL 6-PHENYLPIPERIDINE-2-CARBOXYLATE

Database IDs

• CAS Number: 1137664-24-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.022389
• LogD (pH = 7.4): 2.617754
• Log P: 2.6343694
• Molar Refractivity: 66.4658 cm^3
• Polarizability: 26.62121 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%