Synthesis, spectral characterization and DFT analysis for the validation of 2, 6 diaryl -piperidin-4-ones as potential sunscreens and UV filters

•Synthesis of 3,5-dimethyl-2,6-diaryl-1-propionyl-piperidin-4-ones.•Characterized by UV, IR, 1H NMR, 13C NMR, HSQC, DEPT-135.•X-ray diffraction of study on compound 3,5-dimethyl-2,6-diphenyl-1-propionyl-piperidin-4-one 3a.•DFT calculation to investigate their electronic structure and UV spectral data.•DFT analysis for the validation of 2, 6 diaryl -piperidin-4-ones as potential sunscreens and UV filters.

A new series of piperidine derivatives namely 3,5-dimethyl-2,6-diaryl-1-propionyl-piperidin-4-ones were synthesized. The structure of the compound, 3, 5-dimethyl-2,6-phenyl-1-propionyl-piperidin-4-one was determined unambiguously using NMR, IR and single crystal X-ray diffraction techniques. DFT and its time dependent version based calculations have been carried out to analyze its ground state electronic structure and to interpret the experimental spectroscopic data. The current study also explores into the spectroscopic property of these piperidine-4-one compounds and proposes these molecules as potential sunscreens and UV filters.

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