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Modulating Conformational Preferences by Allylic Strain toward Improved Physical Properties and Binding Interactions
[Image: see text] 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 one. In contrast, th...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8928487/ https://www.ncbi.nlm.nih.gov/pubmed/35309473 http://dx.doi.org/10.1021/acsomega.2c00510 |