5-hydroxypiperidin-2-one

• ChemBase ID: 289531
• Molecular Formular: C5H9NO2
• Molecular Mass: 115.13046
• Monoisotopic Mass: 115.06332853
• SMILES: O=C1NCC(O)CC1
• Canonical SMILES: OC1CCC(=O)NC1
• InChI: InChI=1S/C5H9NO2/c7-4-1-2-5(8)6-3-4/h4,7H,1-3H2,(H,6,8)
• InChIKey: GPRZVNYVEZZOKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydroxypiperidin-2-one
• IUPAC Traditional name: 5-hydroxypiperidin-2-one
• Synonyms: 5-Hydroxypiperidin-2-one

Database IDs

• CAS Number: 19365-07-2
• PubChem SID: 180675062
• PubChem CID: 11378472

CALCULATED PROPERTIES

• Acid pKa: 14.269462
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2099442
• LogD (pH = 7.4): -1.2099442
• Log P: -1.2099442
• Molar Refractivity: 28.2204 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+%