N-benzyl-2-(piperidin-4-yl)acetamide hydrochloride

• ChemBase ID: 55395
• Molecular Formular: C14H21ClN2O
• Molecular Mass: 268.78234
• Monoisotopic Mass: 268.13424098
• SMILES: C1CNCCC1CC(=O)NCc1ccccc1.Cl
• Canonical SMILES: O=C(CC1CCNCC1)NCc1ccccc1.Cl
• InChI: InChI=1S/C14H20N2O.ClH/c17-14(10-12-6-8-15-9-7-12)16-11-13-4-2-1-3-5-13;/h1-5,12,15H,6-11H2,(H,16,17);1H
• InChIKey: AZWLPMWFMORLSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(piperidin-4-yl)acetamide hydrochloride
• IUPAC Traditional name: N-benzyl-2-(piperidin-4-yl)acetamide hydrochloride
• Synonyms: N-Benzyl-2-piperidin-4-ylacetamide hydrochloride

Database IDs

• MDL Number: MFCD16039365
• PubChem SID: 162060158
• PubChem CID: 50998531

CALCULATED PROPERTIES

• Acid pKa: 15.968977
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0113559
• LogD (pH = 7.4): -1.3457737
• Log P: 1.2100402
• Molar Refractivity: 68.9819 cm^3
• Polarizability: 27.072151 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false