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CAS 2158302-01-1

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Phenylmethyl (2S)-2-(cyanomethyl)-1-piperazinecarboxylate

Description:
Phenylmethyl (2S)-2-(cyanomethyl)-1-piperazinecarboxylate is a chemical compound characterized by its piperazine core, which is a six-membered ring containing two nitrogen atoms. This compound features a phenylmethyl group, indicating the presence of a phenyl ring attached to a methyl group, contributing to its lipophilicity and potential biological activity. The cyanomethyl group introduces a nitrile functional group, which can enhance the compound's reactivity and may influence its pharmacological properties. The (2S) designation indicates the specific stereochemistry at the chiral center, which is crucial for the compound's interaction with biological targets. This compound may exhibit various properties such as solubility in organic solvents, potential for forming hydrogen bonds, and reactivity due to the presence of the carboxylate moiety. Its unique structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting neurological or psychiatric disorders, given the piperazine framework's common use in drug design. However, specific biological activity and safety profiles would require further investigation through experimental studies.
Formula:C14H17N3O2
InChI:InChI=1S/C14H17N3O2/c15-7-6-13-10-16-8-9-17(13)14(18)19-11-12-4-2-1-3-5-12/h1-5,13,16H,6,8-11H2/t13-/m0/s1
InChI key:InChIKey=QSKMFYCQRQLYMF-ZDUSSCGKSA-N
SMILES:C(OCC1=CC=CC=C1)(=O)N2[C@@H](CC#N)CNCC2
Synonyms:
  • Benzyl (S)-2-(cyanomethyl)piperazine-1-carboxylate
  • 1-Piperazinecarboxylic acid, 2-(cyanomethyl)-, phenylmethyl ester, (2S)-
  • Benzyl(S)-2-(cyanomethyl)piperazine-1-carboxylate
  • 1-benzyl 4-(tert-butyl) (S)-2-(cyanomethyl)piperazine-1,4-dicarboxylate
  • Phenylmethyl (2S)-2-(cyanomethyl)-1-piperazinecarboxylate
  • Benzyl (2S)-2-(cyanomethyl)piperazine-1-carboxylate
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