N-methylpiperidin-4-amine - ≥98% , CAS No.45584-07-4

CAS: 45584-07-4 Cat. No.: N1073992 Molecular Weight: 114.19

GRADE & PURITY ≥98%

Synonyms

4-(Methylamino)piperidine | 4-amino-1-methylpiperidine

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

N-methylpiperidin-4-amine is an amine derivative of piperidine that functions as a building block in the synthesis of various organic compounds. It acts as a nucleophilic reagent in organic reactions, participating in the formation of new carbon-carbon and carbon-nitrogen bonds. Its primary functionality arises from the amine group attached to the piperidine ring, which can be readily substituted, allowing for the generation of a vast array of novel compounds. This makes it particularly useful in the fields of organic synthesis and materials science. The methyl group on the piperidine ring enhances the lipophilicity of the molecule. This characteristic is exploited in the design of compounds with improved solubility profiles or specific intermolecular interactions, facilitating studies that advance the understanding of molecular dynamics and interactions in complex systems.

Specifications

Synonyms

4-(Methylamino)piperidine | 4-amino-1-methylpiperidine

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CNC1CCNCC1
• IUPAC Name: N-methylpiperidin-4-amine
• InChIKey: FHTGZDVYPCEHFQ-UHFFFAOYSA-N
• INCHI: 1S/C6H14N2/c1-7-6-2-4-8-5-3-6/h6-8H,2-5H2,1H3
• Isomeric SMILES: CNC1CCNCC1
• Molecular Weight: 114.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Aminopiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Aminopiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopiperidines
• Alternative Parents: Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 4-aminopiperidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopiperidines. These are compounds containing a piperidine that carries an amino group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 114.190 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.116 Da
• Monoisotopic Mass: 114.116 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 57.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1