CAS 885949-85-9

1-(1,1-Dimethylethyl) 4-(9H-fluoren-9-ylmethyl) 2-(carboxymethyl)-1,4-piperazinedicarboxylate

Description:

1-(1,1-Dimethylethyl) 4-(9H-fluoren-9-ylmethyl) 2-(carboxymethyl)-1,4-piperazinedicarboxylate is a complex organic compound characterized by its piperazine core, which is a six-membered ring containing two nitrogen atoms. This compound features multiple functional groups, including carboxymethyl groups that enhance its solubility and reactivity. The presence of the fluorenylmethyl moiety contributes to its potential applications in medicinal chemistry, particularly in drug design, due to its ability to interact with biological targets. The tert-butyl group (1,1-dimethylethyl) provides steric hindrance, which can influence the compound's pharmacokinetics and binding properties. Additionally, the compound's structure suggests potential for forming hydrogen bonds and engaging in π-π stacking interactions, which are important in biological systems. Overall, this compound's unique structural features may confer specific biological activities, making it a subject of interest for further research in pharmaceutical applications.

Formula: C₂₆H₃₀N₂O₆

InChI: InChI=1S/C26H30N2O6/c1-26(2,3)34-25(32)28-13-12-27(15-17(28)14-23(29)30)24(31)33-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,17,22H,12-16H2,1-3H3,(H,29,30)

InChI key: InChIKey=SUYZZEFSOKWJDC-UHFFFAOYSA-N

SMILES: C(OC(=O)N1CC(CC(O)=O)N(C(OC(C)(C)C)=O)CC1)C2C=3C(C=4C2=CC=CC4)=CC=CC3

Synonyms:

• 1-(1,1-Dimethylethyl) 4-(9H-fluoren-9-ylmethyl) 2-(carboxymethyl)-1,4-piperazinedicarboxylate
• 1,4-Piperazinedicarboxylic acid, 2-(carboxymethyl)-, 1-(1,1-dimethylethyl) 4-(9H-fluoren-9-ylmethyl) ester