2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide hydrochloride

• ChemBase ID: 16720
• Molecular Formular: C14H20Cl2N2O
• Molecular Mass: 303.2274
• Monoisotopic Mass: 302.09526863
• SMILES: c1(CN2CCCCC2)ccc(cc1)NC(=O)CCl.Cl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)CN1CCCCC1.Cl
• InChI: InChI=1S/C14H19ClN2O.ClH/c15-10-14(18)16-13-6-4-12(5-7-13)11-17-8-2-1-3-9-17;/h4-7H,1-3,8-11H2,(H,16,18);1H
• InChIKey: GAERDZOPWSPGPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide hydrochloride
• IUPAC Traditional name: 2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide hydrochloride
• Synonyms: 2-Chloro-N-(4-piperidin-1-ylmethyl-phenyl)-acetamide hydrochloride

Database IDs

• MDL Number: MFCD09997563
• PubChem SID: 160980027
• PubChem CID: 45489078

CALCULATED PROPERTIES

• Acid pKa: 13.466139
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.69033635
• LogD (pH = 7.4): 0.8735567
• Log P: 2.540063
• Molar Refractivity: 76.3589 cm^3
• Polarizability: 28.86819 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false