1-(4-bromophenyl)-4-methylpiperazine

• ChemBase ID: 286700
• Molecular Formular: C11H15BrN2
• Molecular Mass: 255.1542
• Monoisotopic Mass: 254.04186049
• SMILES: CN1CCN(CC1)c1ccc(Br)cc1
• Canonical SMILES: CN1CCN(CC1)c1ccc(cc1)Br
• InChI: InChI=1S/C11H15BrN2/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
• InChIKey: WCOODAWUEIXTFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-bromophenyl)-4-methylpiperazine
• IUPAC Traditional name: 1-(4-bromophenyl)-4-methylpiperazine
• Synonyms: 1-(4-Bromophenyl)-4-methyl-piperazine

Database IDs

• CAS Number: 130307-08-3
• MDL Number: MFCD09029689
• PubChem SID: 180672231
• PubChem CID: 11817675

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.36676738
• LogD (pH = 7.4): 2.1092448
• Log P: 2.697162
• Molar Refractivity: 64.1595 cm^3
• Polarizability: 24.187063 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%