3560-07-4

Basic information

• Product Name: 1-benzyl-4-(propylamino)piperidine-4-carbonitrile
• Synonyms: 1-benzyl-4-(propylamino)piperidine-4-carbonitrile;1-(Phenylmethyl)-4-(propylamino)-4-piperidinecarbonitrile;Einecs 222-621-8
• CAS NO: 3560-07-4
• Molecular Formula: C₁₆H₂₃N₃
• Molecular Weight: 257.37392
• EINECS: 222-621-8
• Mol File: 3560-07-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 392.9°Cat760mmHg
• Flash Point: 191.4°C
• Appearance: /
• Density: 1.05g/cm³
• Vapor Pressure: 2.22E-06mmHg at 25°C
• Refractive Index: 1.557
• CAS DataBase Reference: 1-benzyl-4-(propylamino)piperidine-4-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 1-benzyl-4-(propylamino)piperidine-4-carbonitrile(3560-07-4)
• EPA Substance Registry System: 1-benzyl-4-(propylamino)piperidine-4-carbonitrile(3560-07-4)

Safety Data

• Hazardous Substances Data: 3560-07-4(Hazardous Substances Data)

Usage

Type of compound

Synthetic compound

Field of application

Medicinal chemistry

Class

Piperidine derivatives

Structural relation

Fentanyl analogs (potent opioid receptor agonists)

Effects

Shown to have analgesic effects in animal studies

Potential

Novel pain medication

Chemical structure

Contains a benzyl group, a propylamino group, and a cyano group attached to the piperidine ring

Significance

Unique and potentially valuable molecule for further research and development in the pharmaceutical industry

InChI:InChI=1/C16H23N3/c1-2-10-18-16(14-17)8-11-19(12-9-16)13-15-6-4-3-5-7-15/h3-7,18H,2,8-13H2,1H3

Upstream product

• 107-10-8 propylamine 
• 3612-20-2 1-phenylmethyl-4-piperidone 
• 151-50-8 potassium cyanide 

Downstream Products

• 7118-21-0 8-benzyl-1-propyl-1,3,8-triaza-spiro[4.5]dec-2-en-4-one 
• 1031-37-4 1-benzyl-4-(propylamino)piperidine-4-carboxamide 

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.