ethyl 1-ethyl-4-oxopiperidine-3-carboxylate

• ChemBase ID: 311709
• Molecular Formular: C10H17NO3
• Molecular Mass: 199.24688
• Monoisotopic Mass: 199.12084341
• SMILES: C1(C(=O)OCC)C(=O)CCN(C1)CC
• Canonical SMILES: CCOC(=O)C1CN(CC)CCC1=O
• InChI: InChI=1S/C10H17NO3/c1-3-11-6-5-9(12)8(7-11)10(13)14-4-2/h8H,3-7H2,1-2H3
• InChIKey: ZKACXIUSAAGGDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-ethyl-4-oxopiperidine-3-carboxylate
• IUPAC Traditional name: ethyl 1-ethyl-4-oxopiperidine-3-carboxylate
• Synonyms: ethyl 1-ethyl-4-oxo-3-piperidinecarboxylate hydrochloride

Database IDs

• CAS Number: 99329-51-8
• MDL Number: MFCD09836250

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.10662427
• LogD (pH = 7.4): 0.93305093
• Log P: 0.76732165
• Molar Refractivity: 53.0215 cm^3
• Polarizability: 20.8086 Å^3
• Polar Surface Area: 46.61 Å^2