1-(2-hydroxyethyl)piperidin-2-one

• ChemBase ID: 271512
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: N1(C(=O)CCCC1)CCO
• Canonical SMILES: OCCN1CCCCC1=O
• InChI: InChI=1S/C7H13NO2/c9-6-5-8-4-2-1-3-7(8)10/h9H,1-6H2
• InChIKey: LMVCQONNFMKDRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-hydroxyethyl)piperidin-2-one
• IUPAC Traditional name: 1-(2-hydroxyethyl)piperidin-2-one
• Synonyms: 1-(2-hydroxyethyl)piperidin-2-one

Database IDs

• MDL Number: MFCD12186793
• PubChem SID: 164327422
• PubChem CID: 12477725

CALCULATED PROPERTIES

• Acid pKa: 15.574262
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.60146695
• LogD (pH = 7.4): -0.6014666
• Log P: -0.6014666
• Molar Refractivity: 38.0479 cm^3
• Polarizability: 14.750852 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.261

Product Information

• Purity: 95%