N-[(4-fluorophenyl)methyl]-2-(piperidin-4-yl)acetamide hydrochloride

• ChemBase ID: 55396
• Molecular Formular: C14H20ClFN2O
• Molecular Mass: 286.7728032
• Monoisotopic Mass: 286.12481917
• SMILES: C1CNCCC1CC(=O)NCc1ccc(cc1)F.Cl
• Canonical SMILES: O=C(CC1CCNCC1)NCc1ccc(cc1)F.Cl
• InChI: InChI=1S/C14H19FN2O.ClH/c15-13-3-1-12(2-4-13)10-17-14(18)9-11-5-7-16-8-6-11;/h1-4,11,16H,5-10H2,(H,17,18);1H
• InChIKey: VEWMADOYXSQDSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-fluorophenyl)methyl]-2-(piperidin-4-yl)acetamide hydrochloride
• IUPAC Traditional name: N-[(4-fluorophenyl)methyl]-2-(piperidin-4-yl)acetamide hydrochloride
• Synonyms: N-(4-Fluorobenzyl)-2-piperidin-4-ylacetamide hydrochloride

Database IDs

• MDL Number: MFCD16039363
• PubChem SID: 162060159
• PubChem CID: 50998529

CALCULATED PROPERTIES

• Acid pKa: 14.97631
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.868654
• LogD (pH = 7.4): -1.2030711
• Log P: 1.3527422
• Molar Refractivity: 69.1983 cm^3
• Polarizability: 26.719822 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