1-cyclobutylpiperazin-2-one

• ChemBase ID: 808102
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: C1(=O)CNCCN1C1CCC1
• Canonical SMILES: O=C1CNCCN1C1CCC1
• InChI: InChI=1S/C8H14N2O/c11-8-6-9-4-5-10(8)7-2-1-3-7/h7,9H,1-6H2
• InChIKey: KJEJPGGTUMAATR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclobutylpiperazin-2-one
• IUPAC Traditional name: 1-cyclobutylpiperazin-2-one
• Synonyms: 1-CYCLOBUTYL-PIPERAZIN-2-ONE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8906682
• LogD (pH = 7.4): -0.4966124
• Log P: -0.3358774
• Molar Refractivity: 42.2368 cm^3
• Polarizability: 16.74643 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%