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

• ChemBase ID: 229258
• Molecular Formular: C13H18Cl2N2O
• Molecular Mass: 289.20082
• Monoisotopic Mass: 288.07961857
• SMILES: N1(c2ccc(NC(=O)CCl)cc2)CCCCC1.Cl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)N1CCCCC1.Cl
• InChI: InChI=1S/C13H17ClN2O.ClH/c14-10-13(17)15-11-4-6-12(7-5-11)16-8-2-1-3-9-16;/h4-7H,1-3,8-10H2,(H,15,17);1H
• InChIKey: SCSIXPFKBYVOAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08447126
• PubChem SID: 164285168
• PubChem CID: 20847875

CALCULATED PROPERTIES

• Acid pKa: 14.826639
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.542382
• LogD (pH = 7.4): 2.7042017
• Log P: 2.70671
• Molar Refractivity: 72.2448 cm^3
• Polarizability: 26.650288 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.132

Product Information

• Purity: 95%
• Salt Data: HCl