968-85-4

Basic information

• Product Name: 1-benzyl-4-(cyclohexylamino)piperidine-4-carbonitrile
• Synonyms: 1-benzyl-4-(cyclohexylamino)piperidine-4-carbonitrile;1-Benzyl-4-(cyclohexylamino)-4-piperidinecarbonitrile;1-BENZYL-4-CYANO-4-CYCLOHEXYLAMINOPIPERIDINE
• CAS NO: 968-85-4
• Molecular Formula: C₁₉H₂₇N₃
• Molecular Weight: 297.43778
• EINECS: 213-532-5
• Mol File: 968-85-4.mol
• Article Data: 1

Chemical Properties

• Melting Point: 82-83 °C
• Boiling Point: 446.9°Cat760mmHg
• Flash Point: 224.1°C
• Appearance: /
• Density: 1.08g/cm³
• Vapor Pressure: 3.52E-08mmHg at 25°C
• Refractive Index: 1.572
• PKA: 6.22±0.10(Predicted)
• CAS DataBase Reference: 1-benzyl-4-(cyclohexylamino)piperidine-4-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 1-benzyl-4-(cyclohexylamino)piperidine-4-carbonitrile(968-85-4)
• EPA Substance Registry System: 1-benzyl-4-(cyclohexylamino)piperidine-4-carbonitrile(968-85-4)

Safety Data

• Hazardous Substances Data: 968-85-4(Hazardous Substances Data)

Usage

Piperidine derivative

A derivative of piperidine This compound is based on the piperidine structure, which is a six-membered heterocyclic ring containing one nitrogen atom.

Potential pharmaceutical applications

Possible use in drug development This compound has potential applications in the pharmaceutical industry, particularly in the development of new drugs for various therapeutic purposes.

Building block in organic synthesis

Can be used for preparing new pharmacologically active compounds 1-benzyl-4-(cyclohexylamino)piperidine-4-carbonitrile can serve as a building block in organic synthesis for the preparation of new compounds with pharmacological activity.

Structural features of interest

Attracts attention for medicinal chemistry research and drug design The compound's structural features make it an interesting target for medicinal chemistry research and drug design efforts.

InChI:InChI=1/C19H27N3/c20-16-19(21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1,3-4,7-8,18,21H,2,5-6,9-15H2

Upstream product

• 3612-20-2 1-phenylmethyl-4-piperidone 
• 151-50-8 potassium cyanide 
• 108-91-8 cyclohexylamine 

Downstream Products

• 1025911-89-0 1-Cyclohexyl-3-methoxycarbonylmethyl-4-oxo-1,3,8-triaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester 
• 180386-39-4 3-Carboxymethyl-1-cyclohexyl-4-oxo-1,3,8-triaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester 
• 1045-16-5 8-benzyl-1-cyclohexyl-1,3,8-triaza-spiro[4.5]dec-2-en-4-one 
• 1042-35-9 1-benzyl-4-cyclohexylamino-piperidine-4-carboxylic acid amide 

Relevant articles and documents

Synthesis and characterization of pseudopeptide bradykinin B2 receptor antagonists containing the 1,3,8-triazaspiro[4.5]decan-4-one ring system

A series of pseudopeptides containing alkyl-, cycloalkyl-, aryl-, and aralkyl-substituted 1,3,8-triazaspiro[4.5]decan-4-one-3-acetic acids as amino acid surrogates to replace the Pro2-Pro3-Gly4-Phe5 section of the peptide bradykinin B2 receptor antagonist [Pro3, Phe5]HOE 140 (D-Arg0-Arg1- Pro2-Pro3-Gly4-Phe5-Ser6-D-Tic7-Oic8-Arg9) were prepared. These psuedopeptides were examined in vitro for their B2 receptor affinities as well as for their ability to block bradykinin mediated actions in vivo. Two compounds in particular, NPC 18521 (I) and NPC 18688 (V) were quite potent in these latter assays, indicating that a significant portion of this prototypical second generation decapeptide antagonist can be replaced with a more compact nonpeptide molecule.