CAS 898808-57-6

1-[(3-Chlorophenyl)methyl]-4-piperidinemethanamine

Description:

1-[(3-Chlorophenyl)methyl]-4-piperidinemethanamine, identified by its CAS number 898808-57-6, is a chemical compound that features a piperidine ring substituted with a 3-chlorobenzyl group. This structure suggests that it may exhibit properties typical of both piperidine derivatives and aromatic compounds. The presence of the chlorine atom on the phenyl ring can influence its reactivity and biological activity, potentially enhancing lipophilicity and altering pharmacokinetic properties. The compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals targeting neurological or psychiatric conditions, given the piperidine moiety's prevalence in various drug classes. Its synthesis and characterization would typically involve standard organic chemistry techniques, including NMR, mass spectrometry, and possibly X-ray crystallography for structural confirmation. Safety and handling considerations are essential, as with all chemical substances, particularly those with potential biological activity. Further research would be necessary to fully elucidate its properties, mechanisms of action, and potential applications in therapeutic contexts.

Formula: C₁₃H₁₉ClN₂

InChI: InChI=1S/C13H19ClN2/c14-13-3-1-2-12(8-13)10-16-6-4-11(9-15)5-7-16/h1-3,8,11H,4-7,9-10,15H2

InChI key: InChIKey=MYSKYKSEXUWHLM-UHFFFAOYSA-N

SMILES: C(N1CCC(CN)CC1)C2=CC(Cl)=CC=C2

Synonyms:

• 4-Piperidinemethanamine, 1-[(3-chlorophenyl)methyl]-
• [1-[(3-Chlorophenyl)methyl]piperidin-4-yl]methanamine
• 1-[(3-Chlorophenyl)methyl]-4-piperidinemethanamine