83898-32-2

Basic information

• Product Name: 2-[1-benzyl-4-piperidyl]-2-phenylglutaronitrile
• Synonyms: 2-[1-benzyl-4-piperidyl]-2-phenylglutaronitrile;2-Phenyl-2-(1-benzyl-4-piperidinyl)pentanedinitrile;Einecs 281-241-0;2-(1-Benzylpiperidin-4-yl)-2-phenylpentanedinitrile;2-(1-BENZYLPIPERIDIN-4-YL)-2-PHENYLPENTANEDINITRILE(WXG01745)
• CAS NO: 83898-32-2
• Molecular Formula: C₂₃H₂₅N₃
• Molecular Weight: 343.4647
• EINECS: 281-241-0
• Mol File: 83898-32-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 534.9°C at 760 mmHg
• Flash Point: 229.6°C
• Appearance: /
• Density: 1.115g/cm³
• Vapor Pressure: 1.62E-11mmHg at 25°C
• Refractive Index: 1.583
• CAS DataBase Reference: 2-[1-benzyl-4-piperidyl]-2-phenylglutaronitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[1-benzyl-4-piperidyl]-2-phenylglutaronitrile(83898-32-2)
• EPA Substance Registry System: 2-[1-benzyl-4-piperidyl]-2-phenylglutaronitrile(83898-32-2)

Safety Data

• Hazardous Substances Data: 83898-32-2(Hazardous Substances Data)

Usage

Nitrile derivative

The compound belongs to the class of nitriles, which are characterized by the presence of a cyano group (C≡N).

Benzyl group

The presence of a benzyl group (C6H5CH2-) in the compound, which is a phenyl group attached to a methyl group.

Piperidyl group

The compound contains a 4-piperidyl group (C4H8N), which is a cyclic amine with a six-membered nitrogen-containing ring.

Phenylglutaronitrile moiety

The compound also has a phenylglutaronitrile group, which consists of a phenyl ring attached to a glutaronitrile group (C5H4(CN)CH2).

Medicinal research

2-[1-benzyl-4-piperidyl]-2-phenylglutaronitrile is used in medicinal research as a potential antipsychotic drug.

Affinity to dopamine and serotonin receptors

The compound has demonstrated an affinity to dopamine and serotonin receptors in the brain, which are neurotransmitter systems often targeted by antipsychotic medications.

Promising candidate for mental health treatments

Due to its chemical structure and properties, the compound is considered a promising candidate for the development of novel treatments for mental health disorders.

Further research needed

More research is necessary to fully understand the therapeutic potential of 2-[1-benzyl-4-piperidyl]-2-phenylglutaronitrile and any potential side effects it may have.

InChI:InChI=1/C23H25N3/c24-15-7-14-23(19-25,21-10-5-2-6-11-21)22-12-16-26(17-13-22)18-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-14,16-18H2

Upstream product

• 7254-21-9 N-benzyl-2-phenyl-2-(piperidin-4-yl)acetonitrile 
• 107-13-1 acrylonitrile 

Downstream Products

• 14051-33-3 Benzetimide 

Relevant articles and documents

Synthesis and structure-activity relationship of benzetimide derivatives as human CXCR3 antagonists

The synthesis and evaluation of benzetimide derivatives showing potent CXCR3 antagonism are described. Optimization of the screening hits led to the identification of more potent CXCR3 antagonists devoid of anti-cholinergic activity and identification of the key pharmacophore moieties of the series.