CAS 946409-13-8

1,1-Dimethylethyl 4-(4-formyl-2-pyridinyl)-1-piperazinecarboxylate

Description:

1,1-Dimethylethyl 4-(4-formyl-2-pyridinyl)-1-piperazinecarboxylate, identified by its CAS number 946409-13-8, is a chemical compound that features a complex structure incorporating a piperazine ring, a pyridine moiety, and a carboxylate functional group. This compound is characterized by its potential biological activity, often explored in medicinal chemistry for its pharmacological properties. The presence of the formyl group on the pyridine ring suggests reactivity that could be leveraged in various synthetic applications. Additionally, the dimethyl substituents on the ethyl group contribute to steric hindrance, which may influence the compound's interaction with biological targets. The overall molecular structure indicates that it may exhibit lipophilic characteristics, which can affect its solubility and bioavailability. As with many compounds in this category, understanding its stability, reactivity, and interaction with other molecules is crucial for its application in drug development and other chemical processes.

Formula: C₁₅H₂₁N₃O₃

InChI: InChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-8-6-17(7-9-18)13-10-12(11-19)4-5-16-13/h4-5,10-11H,6-9H2,1-3H3

InChI key: InChIKey=HYYDJLGOSKKGBL-UHFFFAOYSA-N

SMILES: C(=O)C=1C=C(N=CC1)N2CCN(C(OC(C)(C)C)=O)CC2

Synonyms:

• 1-Piperazinecarboxylic acid, 4-(4-formyl-2-pyridinyl)-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 4-(4-formyl-2-pyridinyl)-1-piperazinecarboxylate