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CAS 1009376-99-1

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1,1-Dimethylethyl (2R,5S)-5-(hydroxymethyl)-2-methyl-1-piperidinecarboxylate

Description:
1,1-Dimethylethyl (2R,5S)-5-(hydroxymethyl)-2-methyl-1-piperidinecarboxylate, with the CAS number 1009376-99-1, is a chemical compound characterized by its piperidine structure, which includes a carboxylate functional group and a hydroxymethyl substituent. This compound features a chiral center, indicated by the (2R,5S) configuration, which contributes to its stereochemical properties and potential biological activity. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, potentially influencing its solubility and permeability in biological systems. The hydroxymethyl group may also play a role in hydrogen bonding interactions, affecting the compound's reactivity and interactions with other molecules. Overall, this compound may be of interest in medicinal chemistry and pharmacology due to its structural features, which could be relevant for the development of therapeutic agents or as a building block in organic synthesis. Further studies would be necessary to elucidate its specific properties and potential applications.
Formula:C12H23NO3
InChI:InChI=1S/C12H23NO3/c1-9-5-6-10(8-14)7-13(9)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3/t9-,10+/m1/s1
InChI key:InChIKey=VOQQCJIHTNEJEK-ZJUUUORDSA-N
SMILES:C(OC(C)(C)C)(=O)N1C[C@@H](CO)CC[C@H]1C
Synonyms:
  • 1,1-Dimethylethyl (2R,5S)-5-(hydroxymethyl)-2-methyl-1-piperidinecarboxylate
  • 1-Piperidinecarboxylic acid, 5-(hydroxymethyl)-2-methyl-, 1,1-dimethylethyl ester, (2R,5S)-
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