N-(4-hydroxyphenyl)piperidine-4-carboxamide hydrochloride

• ChemBase ID: 266748
• Molecular Formular: C12H17ClN2O2
• Molecular Mass: 256.72858
• Monoisotopic Mass: 256.09785547
• SMILES: C(=O)(Nc1ccc(cc1)O)C1CCNCC1.Cl
• Canonical SMILES: O=C(C1CCNCC1)Nc1ccc(cc1)O.Cl
• InChI: InChI=1S/C12H16N2O2.ClH/c15-11-3-1-10(2-4-11)14-12(16)9-5-7-13-8-6-9;/h1-4,9,13,15H,5-8H2,(H,14,16);1H
• InChIKey: VVBULSOKISZZHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxyphenyl)piperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N-(4-hydroxyphenyl)piperidine-4-carboxamide hydrochloride
• Synonyms: N-(4-hydroxyphenyl)piperidine-4-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD16040047
• PubChem SID: 164322658
• PubChem CID: 47002818

CALCULATED PROPERTIES

• Acid pKa: 9.380946
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.2097206
• LogD (pH = 7.4): -1.5357177
• Log P: 0.10196883
• Molar Refractivity: 63.3335 cm^3
• Polarizability: 23.974873 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 238 - 240°C
• Hydrophobicity(logP): 0.106

Product Information

• Purity: 95%