N-cyclohexyl-2-(piperazin-1-yl)acetamide

• ChemBase ID: 28480
• Molecular Formular: C12H23N3O
• Molecular Mass: 225.33052
• Monoisotopic Mass: 225.18411237
• SMILES: C(=O)(NC1CCCCC1)CN1CCNCC1
• Canonical SMILES: O=C(NC1CCCCC1)CN1CCNCC1
• InChI: InChI=1S/C12H23N3O/c16-12(10-15-8-6-13-7-9-15)14-11-4-2-1-3-5-11/h11,13H,1-10H2,(H,14,16)
• InChIKey: RTFADALJKSFJDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-2-(piperazin-1-yl)acetamide
• IUPAC Traditional name: N-cyclohexyl-2-(piperazin-1-yl)acetamide
• Synonyms: N-Cyclohexyl-2-piperazin-1-ylacetamide; N-cyclohexyl-2-(piperazin-1-yl)acetamide

Database IDs

• CAS Number: 64204-55-3
• MDL Number: MFCD00865680
• PubChem SID: 160991787
• PubChem CID: 68835

CALCULATED PROPERTIES

• Acid pKa: 15.868684
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.6757045
• LogD (pH = 7.4): -1.1741978
• Log P: 0.3482284
• Molar Refractivity: 64.5612 cm^3
• Polarizability: 25.634712 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): 1.063

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%