N-(2,4-dichlorophenyl)piperidine-2-carboxamide hydrochloride

• ChemBase ID: 256134
• Molecular Formular: C12H15Cl3N2O
• Molecular Mass: 309.6193
• Monoisotopic Mass: 308.02499615
• SMILES: C(=O)(Nc1c(cc(cc1)Cl)Cl)C1NCCCC1.Cl
• Canonical SMILES: O=C(C1CCCCN1)Nc1ccc(cc1Cl)Cl.Cl
• InChI: InChI=1S/C12H14Cl2N2O.ClH/c13-8-4-5-10(9(14)7-8)16-12(17)11-3-1-2-6-15-11;/h4-5,7,11,15H,1-3,6H2,(H,16,17);1H
• InChIKey: YZPUZBGYGCNALA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,4-dichlorophenyl)piperidine-2-carboxamide hydrochloride
• IUPAC Traditional name: N-(2,4-dichlorophenyl)piperidine-2-carboxamide hydrochloride
• Synonyms: N-(2,4-dichlorophenyl)piperidine-2-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD10686770
• PubChem SID: 164312044
• PubChem CID: 42943660

CALCULATED PROPERTIES

• Acid pKa: 12.107726
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.18670054
• LogD (pH = 7.4): 1.8605722
• Log P: 2.9898186
• Molar Refractivity: 70.5522 cm^3
• Polarizability: 27.15282 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 265 - 267°C
• Hydrophobicity(logP): 2.746

Product Information

• Purity: 95%