Cas no 50846-06-5 (2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine)

2-Methyl-3-(4-methylpiperazin-1-yl)propan-1-amine is a tertiary amine compound featuring a methylpiperazine moiety, which imparts significant versatility in pharmaceutical and chemical synthesis applications. Its structural design, combining a branched alkyl chain with a heterocyclic amine, enhances reactivity and selectivity in nucleophilic substitution and condensation reactions. The compound is particularly valuable as an intermediate in the development of bioactive molecules, including potential CNS-targeting agents, due to its ability to modulate physicochemical properties such as solubility and lipophilicity. High purity grades ensure consistent performance in research and industrial settings. Stability under standard storage conditions further underscores its utility in synthetic workflows.
2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine structure
50846-06-5 structure
Product Name:2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CAS No:50846-06-5
MF:C9H21N3
MW:171.283141851425
CID:934366
PubChem ID:17609128
Update Time:2025-06-11

2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 1-Piperazinepropanamine,-bta-,4-dimethyl-(9CI)
    • 2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
    • 4-PENTYLPIPERAZIN-1-AMINE
    • AG-F-71325
    • AGN-PC-01KY8D
    • CTK4J3249
    • EN300-44908
    • MolPort-003-749-685
    • DTXSID50589855
    • G44935
    • 50846-06-5
    • AKOS009388009
    • CS-0249702
    • Z406338806
    • Inchi: 1S/C9H21N3/c1-9(7-10)8-12-5-3-11(2)4-6-12/h9H,3-8,10H2,1-2H3
    • InChI Key: XXSQACLXBZQBST-UHFFFAOYSA-N
    • SMILES: N1(CC(C)CN)CCN(C)CC1

Computed Properties

  • Exact Mass: 171.17400
  • Monoisotopic Mass: 171.173547683g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 119
  • 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
  • XLogP3: -0.1
  • Topological Polar Surface Area: 32.5?2

Experimental Properties

  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 235.0±8.0 °C at 760 mmHg
  • Flash Point: 95.0±13.2 °C
  • PSA: 32.50000
  • LogP: 0.40470
  • Vapor Pressure: 0.1±0.5 mmHg at 25°C

2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine Security Information

2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine Pricemore >>

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Additional information on 2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine

Introduction to 2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine (CAS No. 50846-06-5) and Its Emerging Applications in Chemical Biology

2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine, identified by the chemical identifier CAS No. 50846-06-5, is a compound of significant interest in the field of chemical biology and pharmaceutical research. This molecule, featuring a piperazine moiety and an amine functional group, has garnered attention due to its structural versatility and potential biological activity. The presence of a 4-methylpiperazine substituent enhances its pharmacological profile, making it a valuable scaffold for drug discovery initiatives.

The compound’s molecular structure consists of a propyl chain with a secondary amine at the terminal position, further modified by a methyl-substituted piperazine ring. This configuration imparts unique electronic and steric properties, enabling interactions with biological targets such as enzymes and receptors. Recent advancements in computational chemistry have facilitated the design of derivatives with optimized binding affinities, positioning 2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine as a promising candidate for therapeutic development.

In the realm of medicinal chemistry, the integration of 4-methylpiperazine into molecular frameworks has been associated with enhanced solubility and metabolic stability, critical factors for drug efficacy. Studies have demonstrated that this moiety can modulate neurotransmitter systems, particularly in the context of central nervous system (CNS) disorders. Emerging research indicates that derivatives of this compound may exhibit potential in treating conditions such as anxiety and depression by interacting with serotonin and dopamine pathways.

The synthesis of 2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine involves multi-step organic transformations, including reductive amination and nucleophilic substitution reactions. Advances in synthetic methodologies have enabled more efficient and scalable production processes, reducing costs and improving accessibility for research applications. The compound’s stability under various storage conditions further enhances its utility in long-term studies.

One of the most compelling aspects of 2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine is its role as a building block for more complex pharmacophores. Researchers have leveraged its scaffold to develop novel molecules with improved pharmacokinetic profiles. For instance, modifications at the propyl chain or the piperazine ring have yielded compounds with enhanced selectivity and reduced side effects. These findings underscore the importance of structure-based drug design in optimizing therapeutic agents.

The compound’s interaction with biological targets has been explored through both experimental and computational approaches. X-ray crystallography and nuclear magnetic resonance (NMR) spectroscopy have provided insights into its binding modes within protein active sites. Additionally, molecular dynamics simulations have helped predict conformational changes upon ligand binding, aiding in the rational design of next-generation derivatives.

In clinical research, 2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine has been investigated as a potential treatment for neurodegenerative diseases. Preliminary studies suggest that it may modulate oxidative stress pathways, offering protection against neuronal damage. Furthermore, its ability to cross the blood-brain barrier makes it an attractive candidate for CNS-targeted therapies. Ongoing trials are evaluating its efficacy in models of Parkinson’s disease and Alzheimer’s disease.

The environmental impact of synthesizing and handling 2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine has also been considered in recent research. Efforts to minimize waste generation and optimize reaction conditions align with green chemistry principles, ensuring sustainable practices in pharmaceutical development. These initiatives not only reduce costs but also contribute to environmental conservation.

Future directions in the study of 2-methyl-3-(4-methylpiperazin-1-yl)propan-1-am ine include exploring its potential in combination therapies. By pairing it with other bioactive molecules, researchers aim to achieve synergistic effects that could enhance treatment outcomes for multifaceted diseases. Additionally, investigating its role in precision medicine approaches may uncover personalized treatment strategies based on individual patient profiles.

The compound’s versatility extends beyond traditional pharmaceutical applications. It has shown promise in agrochemical formulations as well, where its structural features contribute to the development of novel pesticides with improved efficacy and reduced environmental persistence. This dual utility highlights the broad impact of synthetic chemistry on multiple sectors.

In conclusion, 2-methyl -3-( 4 -m ethyl piper azin -1 -y l )pr op an - 1 -am ine ( CAS No . 50846 -06 -5 ) represents a significant advancement in chemical biology and drug discovery . Its unique structural attributes , coupled with emerging research findings , position it as a cornerstone compound for future therapeutic developments . As scientific understanding evolves , so too will the applications and implications of this remarkable molecule. p >

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