1-(2-bromo-5-chlorophenyl)-4-methylpiperazine

• ChemBase ID: 290229
• Molecular Formular: C11H14BrClN2
• Molecular Mass: 289.59926
• Monoisotopic Mass: 288.00288814
• SMILES: CN1CCN(c2cc(Cl)ccc2Br)CC1
• Canonical SMILES: CN1CCN(CC1)c1cc(Cl)ccc1Br
• InChI: InChI=1S/C11H14BrClN2/c1-14-4-6-15(7-5-14)11-8-9(13)2-3-10(11)12/h2-3,8H,4-7H2,1H3
• InChIKey: LJISIBKGVWYZLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromo-5-chlorophenyl)-4-methylpiperazine
• IUPAC Traditional name: 1-(2-bromo-5-chlorophenyl)-4-methylpiperazine
• Synonyms: 1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine

Database IDs

• CAS Number: 1261940-25-3
• PubChem SID: 180675760
• PubChem CID: 53217036

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3967865
• LogD (pH = 7.4): 3.2643273
• Log P: 3.3012066
• Molar Refractivity: 68.9643 cm^3
• Polarizability: 26.129578 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%