CAS 1638744-26-9

1,1-Dimethylethyl (2S,5R)-2,5-dimethyl-4-(phenylmethyl)-1-piperazinecarboxylate

Description:

1,1-Dimethylethyl (2S,5R)-2,5-dimethyl-4-(phenylmethyl)-1-piperazinecarboxylate, identified by its CAS number 1638744-26-9, is a chemical compound that belongs to the class of piperazine derivatives. This substance features a piperazine ring, which is a six-membered heterocyclic structure containing two nitrogen atoms. The compound is characterized by the presence of multiple alkyl groups, specifically dimethyl groups, which contribute to its steric bulk and influence its chemical reactivity and solubility. The phenylmethyl group attached to the piperazine enhances its lipophilicity, potentially affecting its biological activity and interaction with various receptors. The stereochemistry indicated by the (2S,5R) configuration suggests specific spatial arrangements of the substituents, which can be crucial for the compound's pharmacological properties. Overall, this compound may exhibit interesting biological activities, making it a subject of interest in medicinal chemistry and drug development. However, detailed studies would be necessary to fully understand its properties and potential applications.

Formula: C₁₈H₂₈N₂O₂

InChI: InChI=1S/C18H28N2O2/c1-14-12-20(17(21)22-18(3,4)5)15(2)11-19(14)13-16-9-7-6-8-10-16/h6-10,14-15H,11-13H2,1-5H3/t14-,15+/m1/s1

InChI key: InChIKey=XKSYUMRCBPYFNT-CABCVRRESA-N

SMILES: C(N1[C@H](C)CN(C(OC(C)(C)C)=O)[C@@H](C)C1)C2=CC=CC=C2

Synonyms:

• 1-Piperazinecarboxylic acid, 2,5-dimethyl-4-(phenylmethyl)-, 1,1-dimethylethyl ester, (2S,5R)-
• 1,1-Dimethylethyl (2S,5R)-2,5-dimethyl-4-(phenylmethyl)-1-piperazinecarboxylate
• (2S,5R)-4-Benzyl-2,5-dimethylpiperazine-1-carboxylic acid tert-butyl ester