84254-99-9

Basic information

• Product Name: 1-benzyl-4-[(3-chlorophenyl)amino]piperidine-4-carbonitrile
• Synonyms: 1-benzyl-4-[(3-chlorophenyl)amino]piperidine-4-carbonitrile;4-[(3-Chlorophenyl)amino]-1-(phenylmethyl)-4-piperidinecarbonitrile;Einecs 282-546-1;1-benzyl-4-(3-chloroanilino)piperidine-4-carbonitrile
• CAS NO: 84254-99-9
• Molecular Formula: C₁₉H₂₀ClN₃
• Molecular Weight: 325.8352
• EINECS: 282-546-1
• Mol File: 84254-99-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 502.6°C at 760 mmHg
• Flash Point: 257.8°C
• Appearance: /
• Density: 1.22g/cm³
• Vapor Pressure: 3.13E-10mmHg at 25°C
• Refractive Index: 1.628
• CAS DataBase Reference: 1-benzyl-4-[(3-chlorophenyl)amino]piperidine-4-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 1-benzyl-4-[(3-chlorophenyl)amino]piperidine-4-carbonitrile(84254-99-9)
• EPA Substance Registry System: 1-benzyl-4-[(3-chlorophenyl)amino]piperidine-4-carbonitrile(84254-99-9)

Safety Data

• Hazardous Substances Data: 84254-99-9(Hazardous Substances Data)

Usage

General Description

1-benzyl-4-[(3-chlorophenyl)amino]piperidine-4-carbonitrile is a chemical compound with a molecular formula C22H21ClN2. It is a piperidine derivative and is commonly used as a reagent in organic synthesis. This chemical is a white to off-white solid at room temperature and is sparingly soluble in water. Its primary use is in the preparation of pharmaceuticals and agrochemicals, as well as in research and development. The compound is known for its ability to act as a central nervous system depressant and has potential applications in the medical field. Due to its structure and properties, 1-benzyl-4-[(3-chlorophenyl)amino]piperidine-4-carbonitrile is of particular interest to researchers and chemists studying the development of new drugs and organic compounds.

InChI:InChI=1/C19H20ClN3/c20-17-7-4-8-18(13-17)22-19(15-21)9-11-23(12-10-19)14-16-5-2-1-3-6-16/h1-8,13,22H,9-12,14H2

Upstream product

• 3612-20-2 1-phenylmethyl-4-piperidone 
• 108-42-9 3-chloro-aniline 

Downstream Products

• 1244639-59-5 C₁₉H₂₂ClN₃O 
• 690273-75-7 [1-benzyl-4-(4-methylthiazol-2-yl)-4-piperidinyl]-(3-chlorophenyl)amine 

Relevant articles and documents

Design, synthesis, and biological evaluation of halogenated N-(2-(4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl)benzamides: Discovery of an isoform-selective small molecule phospholipase D2 inhibitor

Phospholipase D (PLD) catalyzes the conversion of phosphatidylcholine to the lipid second messenger phosphatidic acid. Two mammalian isoforms of PLD have been identified, PLD1 and PLD2, which share 53% sequence identity and are subject to different regulatory mechanisms. Inhibition of PLD enzymatic activity leads to increased cancer cell apoptosis, decreased cancer cell invasion, and decreased metastasis of cancer cells; therefore, the development of isoform-specific, PLD inhibitors is a novel approach for the treatment of cancer. Previously, we developed potent dual PLD1/PLD2, PLD1-specific (>1700-fold selective), and moderately PLD2-preferring (>10-fold preferring) inhibitors. Here, we describe a matrix library strategy that afforded the most potent (PLD2 IC50 = 20 nM) and selective (75-fold selective versus PLD1) PLD2 inhibitor to date, N-(2-(1-(3-fluorophenyl)-4-oxo-1, 3,8-triazaspiro[4.5]decan-8-yl)ethyl)-2-naphthamide (22a), with an acceptable DMPK profile. Thus, these new isoform-selective PLD inhibitors will enable researchers to dissect the signaling roles and therapeutic potential of individual PLD isoforms to an unprecedented degree.