Modulating Conformational Preferences by Allylic Strain toward Improved Physical Properties and Binding Interactions
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DOI: 10.1021/acsomega.2c00510
Abstract: The preference of the axial over the equatorial orientation of 2-substitutent for both phenyl-1-piperidines and N-acylpiperidines is studied at the M06-2X level of theory. For phenyl-1-piperidines, the axial 2-substituent is modestly favored over the equatorial… read more here.
Keywords: strain toward; modulating conformational; toward improved; conformational preferences ... See more keywords