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CAS 886363-60-6

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3-(Ethoxycarbonyl)-α-[4-(methylthio)phenyl]-1-piperidineacetic acid

Description:
3-(Ethoxycarbonyl)-α-[4-(methylthio)phenyl]-1-piperidineacetic acid, with the CAS number 886363-60-6, is a chemical compound characterized by its complex structure that includes a piperidine ring, an ethoxycarbonyl group, and a phenyl ring substituted with a methylthio group. This compound typically exhibits properties associated with both acidic and basic functionalities due to the presence of the carboxylic acid group and the piperidine nitrogen. It is likely to be soluble in polar organic solvents, and its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The presence of the ethoxycarbonyl group may enhance lipophilicity, while the methylthio substitution can influence biological activity and receptor interactions. As with many organic compounds, its stability and reactivity can be influenced by environmental factors such as pH and temperature. Overall, this compound represents a unique scaffold that may be of interest in drug design and synthesis.
Formula:C17H23NO4S
InChI:InChI=1S/C17H23NO4S/c1-3-22-17(21)13-5-4-10-18(11-13)15(16(19)20)12-6-8-14(23-2)9-7-12/h6-9,13,15H,3-5,10-11H2,1-2H3,(H,19,20)
InChI key:InChIKey=NWIRMAUXRXJNSL-UHFFFAOYSA-N
SMILES:C(C(O)=O)(N1CC(C(OCC)=O)CCC1)C2=CC=C(SC)C=C2
Synonyms:
  • 1-Piperidineacetic acid, 3-(ethoxycarbonyl)-α-[4-(methylthio)phenyl]-
  • 3-(Ethoxycarbonyl)-α-[4-(methylthio)phenyl]-1-piperidineacetic acid
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