1-(2,6-dichlorophenyl)piperazin-2-one

• ChemBase ID: 808124
• Molecular Formular: C10H10Cl2N2O
• Molecular Mass: 245.1052
• Monoisotopic Mass: 244.01701831
• SMILES: C1(=O)CNCCN1c1c(cccc1Cl)Cl
• Canonical SMILES: O=C1CNCCN1c1c(Cl)cccc1Cl
• InChI: InChI=1S/C10H10Cl2N2O/c11-7-2-1-3-8(12)10(7)14-5-4-13-6-9(14)15/h1-3,13H,4-6H2
• InChIKey: ZUXAVKJKMXFPEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,6-dichlorophenyl)piperazin-2-one
• IUPAC Traditional name: 1-(2,6-dichlorophenyl)piperazin-2-one
• Synonyms: 1-(2,6-DICHLORO-PHENYL)-PIPERAZIN-2-ONE

CALCULATED PROPERTIES

• Acid pKa: 17.564735
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.47585154
• LogD (pH = 7.4): 1.5540563
• Log P: 1.6200372
• Molar Refractivity: 59.8118 cm^3
• Polarizability: 23.508154 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%