1-(2,3-dichlorobenzoyl)piperazine

• ChemBase ID: 258891
• Molecular Formular: C11H12Cl2N2O
• Molecular Mass: 259.13178
• Monoisotopic Mass: 258.03266837
• SMILES: c1(C(=O)N2CCNCC2)c(c(Cl)ccc1)Cl
• Canonical SMILES: O=C(c1cccc(c1Cl)Cl)N1CCNCC1
• InChI: InChI=1S/C11H12Cl2N2O/c12-9-3-1-2-8(10(9)13)11(16)15-6-4-14-5-7-15/h1-3,14H,4-7H2
• InChIKey: IAQBMAQIQARJEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dichlorobenzoyl)piperazine
• IUPAC Traditional name: 1-(2,3-dichlorobenzoyl)piperazine
• Synonyms: 1-[(2,3-dichlorophenyl)carbonyl]piperazine

Database IDs

• MDL Number: MFCD08442219
• PubChem SID: 164314801
• PubChem CID: 16769069

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3306116
• LogD (pH = 7.4): 1.3832785
• Log P: 1.9433992
• Molar Refractivity: 65.2948 cm^3
• Polarizability: 25.158796 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.147

Product Information

• Purity: 95%