CAS 808733-05-3
:rel-(4-Methylphenyl)methyl (3R,4S)-3-fluoro-4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate
Description:
The chemical substance known as rel-(4-Methylphenyl)methyl (3R,4S)-3-fluoro-4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate, with the CAS number 808733-05-3, is a complex organic compound characterized by its specific stereochemistry and functional groups. It features a piperidine ring, which is a six-membered nitrogen-containing heterocycle, and incorporates a carboxylate functional group that contributes to its potential biological activity. The presence of a fluorine atom indicates possible modifications in its reactivity and pharmacological properties. Additionally, the inclusion of a pyrimidinylamino group suggests potential interactions with biological targets, making it of interest in medicinal chemistry. The methylphenyl moiety may enhance lipophilicity, influencing the compound's solubility and permeability. Overall, this compound's unique structural features may contribute to its efficacy in therapeutic applications, particularly in the context of drug design and development. Further studies would be necessary to elucidate its specific biological activities and potential uses.
Formula:C19H23FN4O2
InChI:InChI=1/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/s2
InChI key:InChIKey=RECBFDWSXWAXHY-RXQGYGPJNA-N
SMILES:C(OCC1=CC=C(C)C=C1)(=O)N2C[C@@H](F)[C@@H](CNC=3N=CC=CN3)CC2
Synonyms:- 1-Piperidinecarboxylic acid, 3-fluoro-4-[(2-pyrimidinylamino)methyl]-, (4-methylphenyl)methyl ester, (3R,4S)-rel-
- rel-(4-Methylphenyl)methyl (3R,4S)-3-fluoro-4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate
- cis-4-Methylbenzyl 3-fluoro-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate
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