CAS 1057273-30-9

Methyl 1-[(3-bromophenyl)methyl]-4-piperidinecarboxylate

Description:

Methyl 1-[(3-bromophenyl)methyl]-4-piperidinecarboxylate is a chemical compound characterized by its piperidine ring structure, which is a six-membered nitrogen-containing heterocycle. This compound features a methyl ester functional group, contributing to its solubility and reactivity. The presence of a bromophenyl group indicates that it has a bromine atom substituted on the phenyl ring, which can influence its electronic properties and reactivity. The molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the piperidine moiety often being associated with biological activity. Additionally, the compound may exhibit specific interactions with biological targets, making it of interest for further research. Its CAS number, 1057273-30-9, allows for precise identification in chemical databases and literature. As with many organic compounds, safety and handling precautions should be observed, particularly due to the presence of the bromine atom, which can impart toxicity and environmental concerns.

Formula: C₁₄H₁₈BrNO₂

InChI: InChI=1S/C14H18BrNO2/c1-18-14(17)12-5-7-16(8-6-12)10-11-3-2-4-13(15)9-11/h2-4,9,12H,5-8,10H2,1H3

InChI key: InChIKey=KRXXWDPGEACKHD-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1CCN(CC2=CC(Br)=CC=C2)CC1

Synonyms:

• 4-Piperidinecarboxylic acid, 1-[(3-bromophenyl)methyl]-, methyl ester
• Methyl 1-[(3-bromophenyl)methyl]-4-piperidinecarboxylate