ethyl 1-benzyl-6-oxopiperidine-3-carboxylate

• ChemBase ID: 293014
• Molecular Formular: C15H19NO3
• Molecular Mass: 261.31626
• Monoisotopic Mass: 261.13649347
• SMILES: CCOC(=O)C1CCC(=O)N(Cc2ccccc2)C1
• Canonical SMILES: CCOC(=O)C1CCC(=O)N(C1)Cc1ccccc1
• InChI: InChI=1S/C15H19NO3/c1-2-19-15(18)13-8-9-14(17)16(11-13)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
• InChIKey: JBMXVMVVSOFZEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-benzyl-6-oxopiperidine-3-carboxylate
• IUPAC Traditional name: ethyl 1-benzyl-6-oxopiperidine-3-carboxylate
• Synonyms: Ethyl 1-benzyl-6-oxopiperidine-3-carboxylate

Database IDs

• CAS Number: 304859-21-0
• PubChem SID: 180678545
• PubChem CID: 17823210

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6944625
• LogD (pH = 7.4): 1.6944625
• Log P: 1.6944625
• Molar Refractivity: 71.9718 cm^3
• Polarizability: 28.147417 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%