Cas no 896054-84-5 (1-methyl-4-[(piperidin-3-yl)methyl]piperazine)

1-Methyl-4-[(piperidin-3-yl)methyl]piperazine is a heterocyclic organic compound featuring a piperazine core substituted with a methyl group and a piperidin-3-ylmethyl moiety. This structure imparts versatility in pharmaceutical and chemical applications, particularly as a building block for drug discovery and medicinal chemistry. The presence of both piperazine and piperidine rings enhances its potential as a ligand or intermediate in the synthesis of bioactive molecules, including CNS-targeting compounds. Its bifunctional nature allows for further derivatization, enabling tailored modifications for specific research or industrial needs. The compound's stability and well-defined reactivity profile make it a reliable choice for synthetic workflows requiring precise molecular scaffolds.
1-methyl-4-[(piperidin-3-yl)methyl]piperazine structure
896054-84-5 structure
Product Name:1-methyl-4-[(piperidin-3-yl)methyl]piperazine
CAS No:896054-84-5
MF:C11H23N3
MW:197.320422410965
CID:1086337
PubChem ID:20668416
Update Time:2025-05-19

1-methyl-4-[(piperidin-3-yl)methyl]piperazine Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-4-(piperidin-3-ylmethyl)piperazine
    • 1-METHYL-4-(3-PIPERIDINYLMETHYL)PIPERAZINE X3HCL
    • 1-methyl-4-[(piperidin-3-yl)methyl]piperazine
    • 1-methyl-4-(3-piperidinylmethyl)piperazine
    • EN300-68348
    • 896054-84-5
    • AKOS016346191
    • AKOS000173888
    • CHEMBL4536432
    • Z317037060
    • SCHEMBL13661309
    • piperazine, 1-methyl-4-(3-piperidinylmethyl)-, trihydrochloride
    • G32125
    • ALBB-013256
    • MDL: MFCD05215168
    • Inchi: 1S/C11H23N3/c1-13-5-7-14(8-6-13)10-11-3-2-4-12-9-11/h11-12H,2-10H2,1H3
    • InChI Key: KHESUUBSLVIEBH-UHFFFAOYSA-N
    • SMILES: N1(CCN(C)CC1)CC1CNCCC1

Computed Properties

  • Exact Mass: 197.189197746g/mol
  • Monoisotopic Mass: 197.189197746g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 164
  • 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: 0.4
  • Topological Polar Surface Area: 18.5?2

1-methyl-4-[(piperidin-3-yl)methyl]piperazine Pricemore >>

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Additional information on 1-methyl-4-[(piperidin-3-yl)methyl]piperazine

Comprehensive Overview of 1-methyl-4-[(piperidin-3-yl)methyl]piperazine (CAS No. 896054-84-5)

1-methyl-4-[(piperidin-3-yl)methyl]piperazine (CAS No. 896054-84-5) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research due to its unique structural properties. This compound belongs to the class of piperazine derivatives, which are widely recognized for their versatility in drug design and medicinal chemistry. The presence of both piperidine and piperazine moieties in its structure makes it a valuable intermediate for synthesizing bioactive molecules targeting neurological and metabolic disorders.

In recent years, the demand for piperazine-based compounds has surged, driven by their applications in developing central nervous system (CNS) drugs and GPCR modulators. Researchers are particularly interested in 1-methyl-4-[(piperidin-3-yl)methyl]piperazine due to its potential role in enhancing blood-brain barrier (BBB) permeability, a critical factor in treating neurodegenerative diseases like Alzheimer's and Parkinson's. Its structural flexibility allows for modifications that can improve drug bioavailability and receptor binding affinity, making it a focal point in preclinical studies.

The synthesis of CAS No. 896054-84-5 involves multi-step organic reactions, including reductive amination and N-alkylation, which are optimized for high yield and purity. Analytical techniques such as HPLC, NMR spectroscopy, and mass spectrometry are employed to characterize this compound, ensuring compliance with pharmaceutical-grade standards. Its molecular weight (211.32 g/mol) and logP value (indicative of lipophilicity) further underscore its suitability for drug discovery pipelines.

Beyond pharmaceuticals, 1-methyl-4-[(piperidin-3-yl)methyl]piperazine is explored in agrochemical research for designing novel pesticide adjuvants. Its ability to modulate enzyme activity and ion channels aligns with the growing trend of green chemistry solutions in agriculture. Additionally, its stability under varying pH conditions makes it a candidate for catalysis and material science applications.

As the scientific community prioritizes sustainable synthesis and AI-driven drug discovery, compounds like CAS No. 896054-84-5 are increasingly studied through computational modeling and machine learning algorithms. These approaches accelerate the identification of structure-activity relationships (SAR), reducing reliance on traditional trial-and-error methods. This aligns with industry trends favoring high-throughput screening and fragment-based drug design.

In summary, 1-methyl-4-[(piperidin-3-yl)methyl]piperazine represents a promising scaffold for innovation across multiple disciplines. Its chemical properties, synthetic accessibility, and broad applicability position it as a key player in advancing life sciences and industrial chemistry. Future research will likely focus on optimizing its derivatives for targeted therapies and environmentally friendly formulations.

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