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CAS 88227-09-2

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1-benzyl-3,3,5,5-tetradeuterio-piperidin-4-one

Description:
1-benzyl-3,3,5,5-tetradeuterio-piperidin-4-one is a deuterated derivative of piperidin-4-one, which is a cyclic amine with a ketone functional group. The presence of deuterium, a stable isotope of hydrogen, in the 3 and 5 positions of the piperidine ring indicates that this compound is used in studies requiring isotopic labeling, such as NMR spectroscopy or metabolic tracing. The benzyl group attached to the nitrogen atom enhances the lipophilicity of the molecule, potentially influencing its biological activity and solubility. This compound may exhibit characteristics typical of piperidinones, including basicity due to the nitrogen atom and the ability to participate in hydrogen bonding due to the carbonyl group. Its unique isotopic composition can also affect its physical properties, such as boiling point and density, compared to its non-deuterated counterparts. Overall, 1-benzyl-3,3,5,5-tetradeuterio-piperidin-4-one serves as a valuable tool in chemical research and applications involving isotopic effects.
Formula:C12H11D4NO
InChI:InChI=1/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2/i6D2,7D2
SMILES:c1ccc(cc1)CN1CC(C(=O)C(C1)([2H])[2H])([2H])[2H]
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