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

• ChemBase ID: 258859
• Molecular Formular: C13H18N2O
• Molecular Mass: 218.29482
• Monoisotopic Mass: 218.14191321
• SMILES: C(=O)(NC1CCNCC1)Cc1ccccc1
• Canonical SMILES: O=C(Cc1ccccc1)NC1CCNCC1
• InChI: InChI=1S/C13H18N2O/c16-13(10-11-4-2-1-3-5-11)15-12-6-8-14-9-7-12/h1-5,12,14H,6-10H2,(H,15,16)
• InChIKey: VYVLKPHETCGCEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1607-68-7
• MDL Number: MFCD01314116
• PubChem SID: 164314769
• PubChem CID: 1445168

CALCULATED PROPERTIES

• Acid pKa: 15.911673
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5487177
• LogD (pH = 7.4): -1.8644118
• Log P: 0.6714857
• Molar Refractivity: 64.2409 cm^3
• Polarizability: 25.228521 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 0.302

Product Information

• Purity: 95%