2-[(2,6-dichlorophenyl)methyl]piperazine

• ChemBase ID: 808010
• Molecular Formular: C11H14Cl2N2
• Molecular Mass: 245.14826
• Monoisotopic Mass: 244.05340382
• SMILES: C1(CNCCN1)Cc1c(cccc1Cl)Cl
• Canonical SMILES: Clc1cccc(c1CC1NCCNC1)Cl
• InChI: InChI=1S/C11H14Cl2N2/c12-10-2-1-3-11(13)9(10)6-8-7-14-4-5-15-8/h1-3,8,14-15H,4-7H2
• InChIKey: NIPKFEGQRBMSQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2,6-dichlorophenyl)methyl]piperazine
• IUPAC Traditional name: 2-[(2,6-dichlorophenyl)methyl]piperazine
• Synonyms: 2-(2,6-DICHLORO-BENZYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.6353551
• LogD (pH = 7.4): 0.78470564
• Log P: 2.5521839
• Molar Refractivity: 64.0962 cm^3
• Polarizability: 25.5173 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%