2-(piperidin-4-yl)acetamide

• ChemBase ID: 259143
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C(=O)(CC1CCNCC1)N
• Canonical SMILES: NC(=O)CC1CCNCC1
• InChI: InChI=1S/C7H14N2O/c8-7(10)5-6-1-3-9-4-2-6/h6,9H,1-5H2,(H2,8,10)
• InChIKey: NWVSHHSCDXUYRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yl)acetamide
• IUPAC Traditional name: 2-(piperidin-4-yl)acetamide
• Synonyms: 2-(piperidin-4-yl)acetamide; 2-piperidin-4-ylacetamide

Database IDs

• CAS Number: 184044-10-8
• MDL Number: MFCD09055362
• PubChem SID: 164315053
• PubChem CID: 22064934

CALCULATED PROPERTIES

• Acid pKa: 16.785236
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.959504
• LogD (pH = 7.4): -3.2939227
• Log P: -0.73810893
• Molar Refractivity: 39.4726 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146 - 148°C
• Hydrophobicity(logP): -0.883

Product Information

• Purity: 95%