4-hydroxypiperidin-2-one

• ChemBase ID: 293789
• Molecular Formular: C5H9NO2
• Molecular Mass: 115.13046
• Monoisotopic Mass: 115.06332853
• SMILES: O=C1NCCC(O)C1
• Canonical SMILES: OC1CCNC(=O)C1
• InChI: InChI=1S/C5H9NO2/c7-4-1-2-6-5(8)3-4/h4,7H,1-3H2,(H,6,8)
• InChIKey: PRCAKTIAKXMBQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxypiperidin-2-one
• IUPAC Traditional name: 4-hydroxypiperidin-2-one
• Synonyms: 4-Hydroxy-2-piperidinone

Database IDs

• CAS Number: 476014-76-3
• PubChem SID: 180679320
• PubChem CID: 11251988

CALCULATED PROPERTIES

• Acid pKa: 14.344815
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4386457
• LogD (pH = 7.4): -1.4386457
• Log P: -1.4386457
• Molar Refractivity: 28.3308 cm^3
• Polarizability: 11.098675 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%