CAS 849928-29-6

1,1-Dimethylethyl 4-(aminomethyl)-4-(3-chlorophenyl)-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 4-(aminomethyl)-4-(3-chlorophenyl)-1-piperidinecarboxylate, identified by its CAS number 849928-29-6, is a chemical compound characterized by its piperidine structure, which includes a carboxylate functional group and an aminomethyl substituent. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its steric bulk, potentially influencing its biological activity and solubility. The presence of a 3-chlorophenyl group suggests that it may exhibit specific interactions with biological targets, making it of interest in medicinal chemistry. The compound's molecular structure indicates it may participate in hydrogen bonding due to the amino group, which could enhance its reactivity and interaction with other molecules. Additionally, the chlorinated aromatic ring may impart unique electronic properties, affecting its pharmacokinetics and pharmacodynamics. Overall, this compound's characteristics suggest potential applications in drug development, particularly in areas targeting neurological or psychiatric conditions, though further studies would be necessary to elucidate its specific biological effects and mechanisms of action.

Formula: C₁₇H₂₅ClN₂O₂

InChI: InChI=1S/C17H25ClN2O2/c1-16(2,3)22-15(21)20-9-7-17(12-19,8-10-20)13-5-4-6-14(18)11-13/h4-6,11H,7-10,12,19H2,1-3H3

InChI key: InChIKey=ZVXLHIRDROFOPI-UHFFFAOYSA-N

SMILES: C(N)C1(CCN(C(OC(C)(C)C)=O)CC1)C2=CC(Cl)=CC=C2

Synonyms:

• 1,1-Dimethylethyl 4-(aminomethyl)-4-(3-chlorophenyl)-1-piperidinecarboxylate
• 1-Piperidinecarboxylic acid, 4-(aminomethyl)-4-(3-chlorophenyl)-, 1,1-dimethylethyl ester