CAS 1403898-70-3: 4-(1,1-Dimethylethyl) 1-(phenylmethyl) (2R,5R)-2-(hydroxymethyl)-5-methyl-1,4-piperazinedicarboxylate

Description:The chemical substance known as 4-(1,1-Dimethylethyl) 1-(phenylmethyl) (2R,5R)-2-(hydroxymethyl)-5-methyl-1,4-piperazinedicarboxylate, with the CAS number 1403898-70-3, 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 carboxylate and hydroxymethyl groups, contributing to its potential reactivity and solubility in various solvents. The presence of bulky substituents, such as the tert-butyl and phenylmethyl groups, suggests that the compound may exhibit significant steric hindrance, which can influence its biological activity and interaction with other molecules. The stereochemistry indicated by the (2R,5R) configuration implies specific spatial arrangements that can affect the compound's pharmacological properties. Overall, this substance may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural complexity and the presence of functional groups that can participate in various chemical reactions.

Formula:C₁₉H₂₈N₂O₅

InChI:InChI=1S/C19H28N2O5/c1-14-10-21(17(23)25-13-15-8-6-5-7-9-15)16(12-22)11-20(14)18(24)26-19(2,3)4/h5-9,14,16,22H,10-13H2,1-4H3/t14-,16-/m1/s1

InChI key:InChIKey=DVPLXTZRAMPJQO-GDBMZVCRSA-N

SMILES:O=C(OCC=1C=CC=CC1)N2CC(N(C(=O)OC(C)(C)C)CC2CO)C

Synonyms:
1,4-Piperazinedicarboxylic acid, 2-(hydroxymethyl)-5-methyl-, 4-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2R,5R)-
4-(1,1-Dimethylethyl) 1-(phenylmethyl) (2R,5R)-2-(hydroxymethyl)-5-methyl-1,4-piperazinedicarboxylate