1-cyclobutanecarbonylpiperazine

• ChemBase ID: 269956
• Molecular Formular: C9H16N2O
• Molecular Mass: 168.23614
• Monoisotopic Mass: 168.12626314
• SMILES: C(=O)(N1CCNCC1)C1CCC1
• Canonical SMILES: O=C(N1CCNCC1)C1CCC1
• InChI: InChI=1S/C9H16N2O/c12-9(8-2-1-3-8)11-6-4-10-5-7-11/h8,10H,1-7H2
• InChIKey: FKHMNODTEFBVPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclobutanecarbonylpiperazine
• IUPAC Traditional name: 1-cyclobutanecarbonylpiperazine
• Synonyms: 1-cyclobutanecarbonylpiperazine; 1-(cyclobutylcarbonyl)piperazine

Database IDs

• CAS Number: 64579-67-5
• MDL Number: MFCD09050106
• PubChem SID: 164325866
• PubChem CID: 16777642

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1693816
• LogD (pH = 7.4): -0.45533046
• Log P: 0.10550033
• Molar Refractivity: 47.0149 cm^3
• Polarizability: 18.585028 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.086

Product Information

• Purity: 95%