N-(piperidin-4-yl)acetamide hydrochloride

• ChemBase ID: 45567
• Molecular Formular: C7H15ClN2O
• Molecular Mass: 178.6598
• Monoisotopic Mass: 178.08729079
• SMILES: C(=O)(NC1CCNCC1)C.Cl
• Canonical SMILES: CC(=O)NC1CCNCC1.Cl
• InChI: InChI=1S/C7H14N2O.ClH/c1-6(10)9-7-2-4-8-5-3-7;/h7-8H,2-5H2,1H3,(H,9,10);1H
• InChIKey: PWMUODAZHNQADN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-yl)acetamide hydrochloride
• IUPAC Traditional name: N-(piperidin-4-yl)acetamide hydrochloride
• Synonyms: N-(piperidin-4-yl)acetamide hydrochloride; N-(4-Piperidinyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD11870094
• PubChem SID: 162050330
• PubChem CID: 11401105

CALCULATED PROPERTIES

• Acid pKa: 16.1516
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.383058
• LogD (pH = 7.4): -3.698752
• Log P: -1.1628541
• Molar Refractivity: 39.519 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 203 - 205°C
• Hydrophobicity(logP): -1.466

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%