CAS 939986-17-1

1,1-Dimethylethyl 3-[[(3-nitro-2-pyridinyl)amino]methyl]-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 3-[[(3-nitro-2-pyridinyl)amino]methyl]-1-piperidinecarboxylate, with the CAS number 939986-17-1, is a chemical compound characterized by its complex structure, which includes a piperidine ring and a nitro-substituted pyridine moiety. This compound typically exhibits properties associated with both amines and esters due to the presence of the amino and carboxylate functional groups. It is likely to be a solid at room temperature and may have moderate solubility in polar solvents, given the presence of the piperidine and carboxylate groups. The nitro group can influence its reactivity and potential biological activity, making it of interest in medicinal chemistry. Additionally, the presence of the tert-butyl group (1,1-dimethylethyl) may enhance lipophilicity, affecting its pharmacokinetic properties. Overall, this compound's unique structural features suggest potential applications in drug development, particularly in targeting specific biological pathways. However, detailed studies would be necessary to fully understand its properties and potential uses.

Formula: C₁₆H₂₄N₄O₄

InChI: InChI=1S/C16H24N4O4/c1-16(2,3)24-15(21)19-9-5-6-12(11-19)10-18-14-13(20(22)23)7-4-8-17-14/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,17,18)

InChI key: InChIKey=FYFGZUVLTYKKPO-UHFFFAOYSA-N

SMILES: N(CC1CN(C(OC(C)(C)C)=O)CCC1)C2=C(N(=O)=O)C=CC=N2

Synonyms:

• 1-Piperidinecarboxylic acid, 3-[[(3-nitro-2-pyridinyl)amino]methyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 3-[[(3-nitro-2-pyridinyl)amino]methyl]-1-piperidinecarboxylate