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

• ChemBase ID: 233601
• Molecular Formular: C14H20Cl2N2O
• Molecular Mass: 303.2274
• Monoisotopic Mass: 302.09526863
• SMILES: C(=O)(Nc1ccc(N2CCCCC2)cc1)C(Cl)C.Cl
• Canonical SMILES: CC(C(=O)Nc1ccc(cc1)N1CCCCC1)Cl.Cl
• InChI: InChI=1S/C14H19ClN2O.ClH/c1-11(15)14(18)16-12-5-7-13(8-6-12)17-9-3-2-4-10-17;/h5-8,11H,2-4,9-10H2,1H3,(H,16,18);1H
• InChIKey: WSEFCBUMZRTEMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08447127
• PubChem SID: 164289511
• PubChem CID: 20847997

CALCULATED PROPERTIES

• Acid pKa: 14.661061
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1123097
• LogD (pH = 7.4): 3.2729871
• Log P: 3.2754743
• Molar Refractivity: 76.7387 cm^3
• Polarizability: 28.489252 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.661

Product Information

• Purity: 95%
• Salt Data: HCl