2-hydroxy-1-(piperidin-1-yl)ethan-1-one

• ChemBase ID: 307769
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: N1(C(=O)CO)CCCCC1
• Canonical SMILES: OCC(=O)N1CCCCC1
• InChI: InChI=1S/C7H13NO2/c9-6-7(10)8-4-2-1-3-5-8/h9H,1-6H2
• InChIKey: ZEGFTEOLGHYWAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-1-(piperidin-1-yl)ethan-1-one
• IUPAC Traditional name: 2-hydroxy-1-(piperidin-1-yl)ethanone
• Synonyms: 2-oxo-2-piperidin-1-ylethanol

Database IDs

• CAS Number: 51068-75-8
• MDL Number: MFCD08436412

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5498181
• LogD (pH = 7.4): -0.54981834
• Log P: -0.5498181
• Molar Refractivity: 38.1035 cm^3
• Polarizability: 14.750852 Å^3
• Polar Surface Area: 40.54 Å^2