1-cyclopentylpiperazin-2-one

• ChemBase ID: 306774
• Molecular Formular: C9H16N2O
• Molecular Mass: 168.23614
• Monoisotopic Mass: 168.12626314
• SMILES: N1(C(=O)CNCC1)C1CCCC1
• Canonical SMILES: O=C1CNCCN1C1CCCC1
• InChI: InChI=1S/C9H16N2O/c12-9-7-10-5-6-11(9)8-3-1-2-4-8/h8,10H,1-7H2
• InChIKey: ARBQQMHPEQJNID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentylpiperazin-2-one
• IUPAC Traditional name: 1-cyclopentylpiperazin-2-one
• Synonyms: 1-cyclopentylpiperazin-2-one; 1-CYCLOPENTYL-PIPERAZIN-2-ONE

Database IDs

• CAS Number: 59702-17-9
• MDL Number: MFCD06011077

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4460995
• LogD (pH = 7.4): -0.05204374
• Log P: 0.108691275
• Molar Refractivity: 46.8378 cm^3
• Polarizability: 18.585028 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%