CAS 654663-42-0

2-[4-(tert-butoxycarbonyl)piperazin-1-yl]pyridine-4-carboxylic acid

Description:

2-[4-(tert-butoxycarbonyl)piperazin-1-yl]pyridine-4-carboxylic acid is a chemical compound characterized by its complex structure, which includes a pyridine ring, a carboxylic acid functional group, and a piperazine moiety with a tert-butoxycarbonyl (Boc) protecting group. This compound typically appears as a white to off-white solid and is soluble in polar organic solvents. The presence of the carboxylic acid group contributes to its acidic properties, while the piperazine ring can impart basic characteristics, making it a zwitterionic compound under certain conditions. The tert-butoxycarbonyl group serves as a protective group for the amine functionality, which can be removed under specific conditions to yield the free amine. This compound is often utilized in medicinal chemistry and drug development due to its potential biological activity and ability to serve as a building block in the synthesis of more complex molecules. Its unique structural features may also influence its pharmacokinetic properties, such as solubility and permeability.

Formula: C₁₅H₂₁N₃O₄

InChI: InChI=1/C15H21N3O4/c1-15(2,3)22-14(21)18-8-6-17(7-9-18)12-10-11(13(19)20)4-5-16-12/h4-5,10H,6-9H2,1-3H3,(H,19,20)

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)c1cc(ccn1)C(=O)O

Synonyms:

• 2-[4-(Tert-Butoxycarbonyl)Piperazin-1-Yl]Isonicotinic Acid

2-[4-(tert-Butoxycarbonyl)piperazin-1-yl]isonicotinic acid

CAS: 654663-42-0

Versatile small molecule scaffold

Formula: C₁₅H₂₁N₃O₄

Purity: Min. 95%

Molecular weight: 307.34 g/mol

Ref: 3D-EBB66342