5-cyclopentylpiperazin-2-one

• ChemBase ID: 808183
• Molecular Formular: C9H16N2O
• Molecular Mass: 168.23614
• Monoisotopic Mass: 168.12626314
• SMILES: C1(=O)CNC(CN1)C1CCCC1
• Canonical SMILES: O=C1NCC(NC1)C1CCCC1
• InChI: InChI=1S/C9H16N2O/c12-9-6-10-8(5-11-9)7-3-1-2-4-7/h7-8,10H,1-6H2,(H,11,12)
• InChIKey: GSHUEEQSBTZGHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopentylpiperazin-2-one
• IUPAC Traditional name: 5-cyclopentylpiperazin-2-one
• Synonyms: 5-CYCLOPENTYL-PIPERAZIN-2-ONE

CALCULATED PROPERTIES

• Acid pKa: 14.614778
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6951569
• LogD (pH = 7.4): -0.07907045
• Log P: 0.259795
• Molar Refractivity: 46.3421 cm^3
• Polarizability: 18.585028 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%