2-(4-hydroxypiperidin-1-yl)acetamide

• ChemBase ID: 273856
• Molecular Formular: C7H14N2O2
• Molecular Mass: 158.19826
• Monoisotopic Mass: 158.1055277
• SMILES: N1(CC(=O)N)CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)CC(=O)N
• InChI: InChI=1S/C7H14N2O2/c8-7(11)5-9-3-1-6(10)2-4-9/h6,10H,1-5H2,(H2,8,11)
• InChIKey: QVHXFONEOCQSGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-hydroxypiperidin-1-yl)acetamide
• IUPAC Traditional name: 2-(4-hydroxypiperidin-1-yl)acetamide
• Synonyms: 2-(4-hydroxypiperidin-1-yl)acetamide

Database IDs

• MDL Number: MFCD13183967
• PubChem SID: 164329766
• PubChem CID: 14799132

CALCULATED PROPERTIES

• Acid pKa: 15.143458
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6426916
• LogD (pH = 7.4): -2.0855565
• Log P: -1.8207302
• Molar Refractivity: 41.6192 cm^3
• Polarizability: 16.280312 Å^3
• Polar Surface Area: 66.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): -1.702

Product Information

• Purity: 95%