1-cycloheptylpiperazin-2-one

• ChemBase ID: 808103
• Molecular Formular: C11H20N2O
• Molecular Mass: 196.2893
• Monoisotopic Mass: 196.15756327
• SMILES: C1(=O)CNCCN1C1CCCCCC1
• Canonical SMILES: O=C1CNCCN1C1CCCCCC1
• InChI: InChI=1S/C11H20N2O/c14-11-9-12-7-8-13(11)10-5-3-1-2-4-6-10/h10,12H,1-9H2
• InChIKey: OYEGXFJQMLNXRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cycloheptylpiperazin-2-one
• IUPAC Traditional name: 1-cycloheptylpiperazin-2-one
• Synonyms: 1-CYCLOHEPTYL-PIPERAZIN-2-ONE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5569622
• LogD (pH = 7.4): 0.8370936
• Log P: 0.9978286
• Molar Refractivity: 56.0398 cm^3
• Polarizability: 22.265976 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%