2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide hydrochloride

• ChemBase ID: 251676
• Molecular Formular: C14H20Cl2N2O
• Molecular Mass: 303.2274
• Monoisotopic Mass: 302.09526863
• SMILES: N1(c2ccc(NC(=O)CCl)cc2)CCC(CC1)C.Cl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)N1CCC(CC1)C.Cl
• InChI: InChI=1S/C14H19ClN2O.ClH/c1-11-6-8-17(9-7-11)13-4-2-12(3-5-13)16-14(18)10-15;/h2-5,11H,6-10H2,1H3,(H,16,18);1H
• InChIKey: NARMLNBPVVRIIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide hydrochloride
• IUPAC Traditional name: 2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide hydrochloride
• Synonyms: 2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide hydrochloride

Database IDs

• MDL Number: MFCD08245287
• PubChem SID: 164307586
• PubChem CID: 16297710

CALCULATED PROPERTIES

• Acid pKa: 14.826559
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.839851
• LogD (pH = 7.4): 2.9914095
• Log P: 2.993729
• Molar Refractivity: 76.7934 cm^3
• Polarizability: 28.488323 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.651

Product Information

• Purity: 95%
• Salt Data: HCl