2-(4-hydroxyphenyl)-N-(piperidin-4-yl)acetamide

• ChemBase ID: 276877
• Molecular Formular: C13H18N2O2
• Molecular Mass: 234.29422
• Monoisotopic Mass: 234.13682783
• SMILES: C(=O)(NC1CCNCC1)Cc1ccc(cc1)O
• Canonical SMILES: O=C(Cc1ccc(cc1)O)NC1CCNCC1
• InChI: InChI=1S/C13H18N2O2/c16-12-3-1-10(2-4-12)9-13(17)15-11-5-7-14-8-6-11/h1-4,11,14,16H,5-9H2,(H,15,17)
• InChIKey: ABDRHKYFEJJNHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-hydroxyphenyl)-N-(piperidin-4-yl)acetamide
• IUPAC Traditional name: 2-(4-hydroxyphenyl)-N-(piperidin-4-yl)acetamide
• Synonyms: 2-(4-hydroxyphenyl)-N-(piperidin-4-yl)acetamide

Database IDs

• MDL Number: MFCD11642769
• PubChem SID: 164332787
• PubChem CID: 43345745

CALCULATED PROPERTIES

• Acid pKa: 9.385586
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.8475418
• LogD (pH = 7.4): -2.098941
• Log P: -0.47441223
• Molar Refractivity: 66.2218 cm^3
• Polarizability: 25.825356 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 211 - 213°C
• Hydrophobicity(logP): -0.365

Product Information

• Purity: 95%