ethyl 2-(piperidin-2-yl)acetate

• ChemBase ID: 306531
• Molecular Formular: C9H17NO2
• Molecular Mass: 171.23678
• Monoisotopic Mass: 171.12592879
• SMILES: C(C(=O)OCC)C1NCCCC1
• Canonical SMILES: CCOC(=O)CC1CCCCN1
• InChI: InChI=1S/C9H17NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h8,10H,2-7H2,1H3
• InChIKey: SEJLPOWVAACXJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(piperidin-2-yl)acetate
• IUPAC Traditional name: ethyl 2-(piperidin-2-yl)acetate
• Synonyms: ethyl piperidin-2-ylacetate

Database IDs

• CAS Number: 2739-99-3
• MDL Number: MFCD09752674

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2098122
• LogD (pH = 7.4): -0.99078256
• Log P: 0.9349528
• Molar Refractivity: 46.8073 cm^3
• Polarizability: 18.871552 Å^3
• Polar Surface Area: 38.33 Å^2