CAS 952480-27-2

2-(Phenylmethyl)-2,5-diazabicyclo[2.2.2]octane

Description:

2-(Phenylmethyl)-2,5-diazabicyclo[2.2.2]octane, also known by its CAS number 952480-27-2, is a bicyclic organic compound characterized by its unique structure that incorporates a diazabicyclo framework. This compound features two nitrogen atoms within a bicyclic system, which contributes to its potential biological activity and interaction with various receptors. The phenylmethyl group attached to the bicyclic core enhances its lipophilicity, potentially influencing its pharmacokinetic properties. Typically, compounds of this nature may exhibit properties such as moderate to high solubility in organic solvents, and they may participate in hydrogen bonding due to the presence of nitrogen atoms. The structural configuration allows for various stereochemical arrangements, which can affect the compound's reactivity and interaction with biological targets. As a result, 2-(Phenylmethyl)-2,5-diazabicyclo[2.2.2]octane may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals targeting neurological or psychiatric conditions. Further studies would be necessary to elucidate its specific biological activities and therapeutic potential.

Formula: C₁₃H₁₈N₂

InChI: InChI=1S/C13H18N2/c1-2-4-11(5-3-1)9-15-10-12-6-7-13(15)8-14-12/h1-5,12-14H,6-10H2

InChI key: InChIKey=BZCSYAXRUSXEBM-UHFFFAOYSA-N

SMILES: C(N1C2CCC(C1)NC2)C3=CC=CC=C3

Synonyms:

• 2,5-Diazabicyclo[2.2.2]octane, 2-(phenylmethyl)-
• 2-(Phenylmethyl)-2,5-diazabicyclo[2.2.2]octane
• 2-Benzyl-2,5-diazabicyclo[2.2.2]octane