CAS 1233954-87-4

1,1-Dimethylethyl 4-[[(2-fluoro-6-nitrophenyl)amino]methyl]-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 4-[[(2-fluoro-6-nitrophenyl)amino]methyl]-1-piperidinecarboxylate, identified by its CAS number 1233954-87-4, is a chemical compound characterized by its complex structure, which includes a piperidine ring and a nitrophenyl group. The presence of a dimethyl group contributes to its steric bulk, potentially influencing its reactivity and interaction with biological targets. The fluoro and nitro substituents on the phenyl ring may enhance its lipophilicity and electronic properties, making it a candidate for various applications in medicinal chemistry. This compound may exhibit specific pharmacological activities due to its structural features, which can affect its binding affinity and selectivity towards certain receptors or enzymes. Additionally, the ester functional group in the molecule suggests potential for hydrolysis, which could impact its stability and bioavailability. Overall, the characteristics of this compound make it of interest for further research, particularly in the context of drug development and chemical synthesis.

Formula: C₁₇H₂₄FN₃O₄

InChI: InChI=1S/C17H24FN3O4/c1-17(2,3)25-16(22)20-9-7-12(8-10-20)11-19-15-13(18)5-4-6-14(15)21(23)24/h4-6,12,19H,7-11H2,1-3H3

InChI key: InChIKey=ZYOSFVTVXVVDBP-UHFFFAOYSA-N

SMILES: N(CC1CCN(C(OC(C)(C)C)=O)CC1)C2=C(N(=O)=O)C=CC=C2F

Synonyms:

• 1-Piperidinecarboxylic acid, 4-[[(2-fluoro-6-nitrophenyl)amino]methyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 4-[[(2-fluoro-6-nitrophenyl)amino]methyl]-1-piperidinecarboxylate

tert-Butyl 4-[(2-fluoro-6-nitrophenylamino)methyl]piperidine-1-carboxylate

CAS: 1233954-87-4

Formula: C₁₇H₂₄FN₃O₄

Purity: 95.0%

Molecular weight: 353.394

Ref: 10-F063574