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

• ChemBase ID: 38219
• Molecular Formular: C15H22ClFN2O
• Molecular Mass: 300.7993832
• Monoisotopic Mass: 300.14046923
• SMILES: C(=O)(NCCc1c(F)cccc1)CC1CCNCC1.Cl
• Canonical SMILES: O=C(CC1CCNCC1)NCCc1ccccc1F.Cl
• InChI: InChI=1S/C15H21FN2O.ClH/c16-14-4-2-1-3-13(14)7-10-18-15(19)11-12-5-8-17-9-6-12;/h1-4,12,17H,5-11H2,(H,18,19);1H
• InChIKey: LCONECTUMRSQFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-fluorophenyl)ethyl]-2-(piperidin-4-yl)acetamide hydrochloride
• IUPAC Traditional name: N-[2-(2-fluorophenyl)ethyl]-2-(piperidin-4-yl)acetamide hydrochloride
• Synonyms: N-[2-(2-Fluoro-phenyl)-ethyl]-2-piperidin-4-yl-acetamide hydrochloride

Database IDs

• MDL Number: MFCD12028492
• PubChem SID: 161001526
• PubChem CID: 46737094

CALCULATED PROPERTIES

• Acid pKa: 15.231508
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5799938
• LogD (pH = 7.4): -0.9144103
• Log P: 1.6414033
• Molar Refractivity: 73.9533 cm^3
• Polarizability: 28.560062 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false