2-(piperidin-3-yl)acetamide hydrochloride

• ChemBase ID: 285825
• Molecular Formular: C7H15ClN2O
• Molecular Mass: 178.6598
• Monoisotopic Mass: 178.08729079
• SMILES: C(=O)(CC1CNCCC1)N.Cl
• Canonical SMILES: NC(=O)CC1CCCNC1.Cl
• InChI: InChI=1S/C7H14N2O.ClH/c8-7(10)4-6-2-1-3-9-5-6;/h6,9H,1-5H2,(H2,8,10);1H
• InChIKey: AUTWCDRWUKLERJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-3-yl)acetamide hydrochloride
• IUPAC Traditional name: 2-(piperidin-3-yl)acetamide hydrochloride
• Synonyms: 2-(piperidin-3-yl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD21602642
• PubChem SID: 180671356
• PubChem CID: 73994766

CALCULATED PROPERTIES

• Acid pKa: 16.784525
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8908682
• LogD (pH = 7.4): -3.4117846
• Log P: -0.66015524
• Molar Refractivity: 39.3956 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: 209 - 211°C
• Hydrophobicity(logP): -0.883

Product Information

• Purity: 95%