Theoretical structure-activity studies of methyl-substituted 4-(m-OH phenyl) piperidines.
The theoretically determined molecular structures of N-protonated 1,3,4,6 methyl-substituted 4-(m-OH phenyl) piperidines are correlated to their experimentally derived analgesic activities. It is concluded that the orientation of the 3-methyl group plays a crucial role in determining agonism and antagonism.
D000700:Analgesics; D008745:Methylation; D008958:Models, Molecular; D008968:Molecular Conformation; D010636:Phenols; D010880:Piperidines; D013237:Stereoisomerism; D013329:Structure-Activity Relationship
D000700:Analgesics; D010636:Phenols; D010880:Piperidines