CAS 477846-55-2

3-Bromo-4-(4-methyl-1-piperazinyl)benzenamine

Description:

3-Bromo-4-(4-methyl-1-piperazinyl)benzenamine is an organic compound characterized by its aromatic structure, which includes a bromine substituent and a piperazine moiety. The presence of the bromine atom introduces a halogen, which can influence the compound's reactivity and solubility. The piperazine ring, a six-membered cyclic amine, contributes to the compound's basicity and potential for forming hydrogen bonds, enhancing its interaction with biological targets. This compound is likely to exhibit moderate to high lipophilicity due to the aromatic system and the piperazine group, which can affect its pharmacokinetic properties. Additionally, the amine functional group can participate in various chemical reactions, including alkylation and acylation. Given its structural features, 3-Bromo-4-(4-methyl-1-piperazinyl)benzenamine may have applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific receptors or enzymes. Its unique combination of functional groups makes it a candidate for further research in drug discovery and development.

Formula: C₁₁H₁₆BrN₃

InChI: InChI=1S/C11H16BrN3/c1-14-4-6-15(7-5-14)11-3-2-9(13)8-10(11)12/h2-3,8H,4-7,13H2,1H3

InChI key: InChIKey=PLGCTJOLWURQAI-UHFFFAOYSA-N

SMILES: BrC1=C(N2CCN(C)CC2)C=CC(N)=C1

Synonyms:

• Benzenamine, 3-bromo-4-(4-methyl-1-piperazinyl)-
• 3-Bromo-4-(4-methylpiperazine)-aniline
• 3-Bromo-4-(4-methyl-1-piperazinyl)benzenamine
• 3-Bromo-4-(4-methylpiperazin-1-yl)aniline