Cas no 72615-69-1 (2-methyl-1-(pyridin-2-yl)piperazine)

2-Methyl-1-(pyridin-2-yl)piperazine is a heterocyclic compound featuring a piperazine core substituted with a methyl group at the 2-position and a pyridinyl moiety at the 1-position. This structure imparts versatility in coordination chemistry and pharmaceutical applications, serving as a valuable intermediate in the synthesis of bioactive molecules. Its pyridine and piperazine functionalities enhance binding affinity in metal complexes and receptor-targeting compounds. The compound’s stability and well-defined reactivity profile make it suitable for use in medicinal chemistry research, particularly in the development of ligands and small-molecule modulators. High purity grades are available to ensure reproducibility in synthetic and catalytic applications.
2-methyl-1-(pyridin-2-yl)piperazine structure
72615-69-1 structure
Product Name:2-methyl-1-(pyridin-2-yl)piperazine
CAS No:72615-69-1
MF:C10H15N3
MW:177.246201753616
CID:549847
PubChem ID:12514030
Update Time:2025-10-28

2-methyl-1-(pyridin-2-yl)piperazine Chemical and Physical Properties

Names and Identifiers

    • Piperazine,2-methyl-1-(2-pyridinyl)-
    • 2-methyl-1-pyridin-2-ylpiperazine
    • Piperazine, 2-methyl-1-(2-pyridinyl)- (9CI)
    • 2-methyl-1-(pyridin-2-yl)piperazine
    • EN300-1664628
    • SCHEMBL20141500
    • AKOS011968117
    • DTXSID30500982
    • 72615-69-1
    • Inchi: 1S/C10H15N3/c1-9-8-11-6-7-13(9)10-4-2-3-5-12-10/h2-5,9,11H,6-8H2,1H3
    • InChI Key: UPMQBOMVBDJTML-UHFFFAOYSA-N
    • SMILES: N1(C2C=CC=CN=2)CCNCC1C

Computed Properties

  • Exact Mass: 177.12675
  • Monoisotopic Mass: 177.126597491g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 160
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.1
  • Topological Polar Surface Area: 28.2?2

Experimental Properties

  • PSA: 28.16

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Additional information on 2-methyl-1-(pyridin-2-yl)piperazine

Comprehensive Overview of 2-methyl-1-(pyridin-2-yl)piperazine (CAS No. 72615-69-1): Properties, Applications, and Research Insights

2-methyl-1-(pyridin-2-yl)piperazine (CAS No. 72615-69-1) is a heterocyclic organic compound featuring a piperazine core substituted with a methyl group and a pyridinyl moiety. This structure endows it with unique physicochemical properties, making it a subject of interest in pharmaceutical research, agrochemical development, and material science. The compound's molecular formula (C10H15N3) and molecular weight (177.25 g/mol) are critical for its applications in drug design, particularly as a pharmacophore or intermediate in synthesizing bioactive molecules.

Recent studies highlight the growing demand for pyridine- and piperazine-based compounds due to their versatility in modulating biological activity. Researchers are exploring 2-methyl-1-(pyridin-2-yl)piperazine for its potential role in central nervous system (CNS) drug development, given its structural similarity to ligands targeting neurotransmitter receptors. Its lipophilicity and hydrogen-bonding capacity are often optimized to enhance blood-brain barrier permeability, a hot topic in neurotherapeutics.

In agrochemistry, derivatives of 72615-69-1 are investigated for their pesticidal and herbicidal properties. The compound's ability to act as a chelating agent or catalyst in metal-organic frameworks (MOFs) also aligns with trends in green chemistry and sustainable synthesis. These applications resonate with current searches for eco-friendly chemical alternatives and crop protection innovations.

From a synthetic perspective, 2-methyl-1-(pyridin-2-yl)piperazine is often prepared via nucleophilic substitution or reductive amination reactions. Analytical techniques like HPLC, NMR, and mass spectrometry are essential for purity validation, addressing common queries about compound characterization methods. Its stability under physiological conditions is another focal point, particularly for researchers optimizing drug delivery systems.

The compound's structure-activity relationship (SAR) is frequently discussed in medicinal chemistry forums, with emphasis on how minor modifications impact receptor affinity or metabolic resistance. Such discussions align with trending searches on rational drug design and computational chemistry tools. Additionally, its potential as a building block for fluorescent probes or bioimaging agents taps into the rising interest in diagnostic technologies.

Regulatory and safety profiles of CAS 72615-69-1 are meticulously documented, ensuring compliance with REACH and GMP standards. This addresses frequent industry concerns about chemical compliance and laboratory safety protocols. As research progresses, 2-methyl-1-(pyridin-2-yl)piperazine continues to inspire innovations across interdisciplinary fields, solidifying its relevance in modern scientific inquiry.

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