ethyl 1-phenylpiperidine-4-carboxylate

• ChemBase ID: 292412
• Molecular Formular: C14H19NO2
• Molecular Mass: 233.30616
• Monoisotopic Mass: 233.14157885
• SMILES: CCOC(=O)C1CCN(CC1)c1ccccc1
• Canonical SMILES: CCOC(=O)C1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C14H19NO2/c1-2-17-14(16)12-8-10-15(11-9-12)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
• InChIKey: ZNOCPXFFJBMLLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-phenylpiperidine-4-carboxylate
• IUPAC Traditional name: ethyl 1-phenylpiperidine-4-carboxylate
• Synonyms: Ethyl 1-phenylpiperidine-4-carboxylate

Database IDs

• CAS Number: 247022-37-3
• PubChem SID: 180677943
• PubChem CID: 6470

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3507936
• LogD (pH = 7.4): 2.6515322
• Log P: 2.6571023
• Molar Refractivity: 68.3862 cm^3
• Polarizability: 26.2354 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%