1-(2,6-dichlorobenzoyl)piperazine

• ChemBase ID: 261454
• Molecular Formular: C11H12Cl2N2O
• Molecular Mass: 259.13178
• Monoisotopic Mass: 258.03266837
• SMILES: C(=O)(c1c(Cl)cccc1Cl)N1CCNCC1
• Canonical SMILES: O=C(c1c(Cl)cccc1Cl)N1CCNCC1
• InChI: InChI=1S/C11H12Cl2N2O/c12-8-2-1-3-9(13)10(8)11(16)15-6-4-14-5-7-15/h1-3,14H,4-7H2
• InChIKey: QLYMWDPEXIEMSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,6-dichlorobenzoyl)piperazine
• IUPAC Traditional name: 1-(2,6-dichlorobenzoyl)piperazine
• Synonyms: 1-[(2,6-dichlorophenyl)carbonyl]piperazine

Database IDs

• MDL Number: MFCD09805480
• PubChem SID: 164317364
• PubChem CID: 17855001

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3306111
• LogD (pH = 7.4): 1.383279
• Log P: 1.9433992
• Molar Refractivity: 65.2948 cm^3
• Polarizability: 25.14803 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 2.286

Product Information

• Purity: 95%