2-phenyl-2-(piperazin-1-yl)acetamide

• ChemBase ID: 252659
• Molecular Formular: C12H17N3O
• Molecular Mass: 219.28288
• Monoisotopic Mass: 219.13716218
• SMILES: N1(C(C(=O)N)c2ccccc2)CCNCC1
• Canonical SMILES: NC(=O)C(c1ccccc1)N1CCNCC1
• InChI: InChI=1S/C12H17N3O/c13-12(16)11(10-4-2-1-3-5-10)15-8-6-14-7-9-15/h1-5,11,14H,6-9H2,(H2,13,16)
• InChIKey: ZVGYTPUYLFVJCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-2-(piperazin-1-yl)acetamide
• IUPAC Traditional name: 2-phenyl-2-(piperazin-1-yl)acetamide
• Synonyms: 2-phenyl-2-piperazin-1-ylacetamide

Database IDs

• MDL Number: MFCD08444472
• PubChem SID: 164308569
• PubChem CID: 16227366

CALCULATED PROPERTIES

• Acid pKa: 16.191498
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7645407
• LogD (pH = 7.4): -1.2616317
• Log P: 0.2617112
• Molar Refractivity: 63.0082 cm^3
• Polarizability: 24.906866 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.588

Product Information

• Purity: 95%