CAS 92042-94-9

4-Methyl-α-phenyl-1-piperazineacetonitrile

Description:

4-Methyl-α-phenyl-1-piperazineacetonitrile, identified by its CAS number 92042-94-9, is a chemical compound that belongs to the class of piperazine derivatives. It features a piperazine ring, which is a six-membered cyclic amine, substituted with a methyl group and a phenyl group, along with an acetonitrile functional group. This compound is typically characterized by its moderate polarity due to the presence of both hydrophobic (phenyl and methyl groups) and hydrophilic (acetonitrile) components. It may exhibit biological activity, making it of interest in medicinal chemistry and pharmacology. The presence of the piperazine moiety often suggests potential interactions with neurotransmitter receptors, which can be relevant in the development of psychoactive substances. Additionally, the compound's solubility and stability can be influenced by its molecular structure, affecting its applications in various chemical and pharmaceutical contexts. Safety and handling precautions should be observed, as with any chemical substance, due to potential toxicity or reactivity.

Formula: C₁₃H₁₇N₃

InChI: InChI=1S/C13H17N3/c1-15-7-9-16(10-8-15)13(11-14)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3

InChI key: InChIKey=XQKUDTNQMGTCMZ-UHFFFAOYSA-N

SMILES: C(C#N)(N1CCN(C)CC1)C2=CC=CC=C2

Synonyms:

• 4-Methyl-α-phenyl-1-piperazineacetonitrile
• 2-(4-Methylpiperazin-1-yl)-2-phenylacetonitrile
• 1-Piperazineacetonitrile, 4-methyl-α-phenyl-