CAS 1361112-39-1

4-[(3-Chloro-2-pyrazinyl)methyl]hexahydro-1-(1-methylethyl)-1H-azepine

Description:

4-[(3-Chloro-2-pyrazinyl)methyl]hexahydro-1-(1-methylethyl)-1H-azepine is a chemical compound characterized by its complex structure, which includes a hexahydroazepine ring and a pyrazine moiety. The presence of the chloro group on the pyrazine ring contributes to its reactivity and potential biological activity. This compound features a tertiary amine due to the nitrogen in the azepine ring, which can participate in hydrogen bonding and influence its solubility and interaction with biological targets. The isopropyl group attached to the azepine nitrogen enhances its lipophilicity, potentially affecting its pharmacokinetic properties. The overall molecular structure suggests that it may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry. Its specific applications and effects would depend on detailed studies, including its synthesis, stability, and interactions with biological systems. As with many compounds, safety and handling precautions should be observed due to the presence of chlorine and the potential for biological activity.

Formula: C₁₄H₂₂ClN₃

InChI: InChI=1S/C14H22ClN3/c1-11(2)18-8-3-4-12(5-9-18)10-13-14(15)17-7-6-16-13/h6-7,11-12H,3-5,8-10H2,1-2H3

InChI key: InChIKey=IDBDUZCSPKGXML-UHFFFAOYSA-N

SMILES: C(C=1C(Cl)=NC=CN1)C2CCN(C(C)C)CCC2

Synonyms:

• 4-[(3-Chloro-2-pyrazinyl)methyl]hexahydro-1-(1-methylethyl)-1H-azepine
• 1H-Azepine, 4-[(3-chloro-2-pyrazinyl)methyl]hexahydro-1-(1-methylethyl)-