Cas no 1068149-96-1 ((R)-1,5-Dimethylpiperazin-2-one)

(R)-1,5-Dimethylpiperazin-2-one is a chiral heterocyclic compound featuring a piperazinone core with methyl substituents at the 1 and 5 positions. Its stereospecific (R)-configuration makes it valuable in asymmetric synthesis and pharmaceutical applications, particularly as a building block for bioactive molecules. The compound’s rigid structure and functional group compatibility enhance its utility in medicinal chemistry, enabling precise modifications for drug development. Its stability under standard conditions and solubility in common organic solvents facilitate handling in laboratory settings. (R)-1,5-Dimethylpiperazin-2-one is often employed in the synthesis of peptidomimetics and chiral catalysts, underscoring its importance in fine chemical and pharmaceutical research.
(R)-1,5-Dimethylpiperazin-2-one structure
1068149-96-1 structure
Product Name:(R)-1,5-Dimethylpiperazin-2-one
CAS No:1068149-96-1
MF:C6H12N2O
MW:128.172281265259
MDL:MFCD09878621
CID:97844
PubChem ID:44630615
Update Time:2025-10-24

(R)-1,5-Dimethylpiperazin-2-one Chemical and Physical Properties

Names and Identifiers

    • (R)-1,5-Dimethylpiperazin-2-one
    • (R)-1-ethyl-5-methylpiperazin-2-one
    • 1,5-dimethyl-2-Piperazinone(5-R)
    • 2-Piperazinone,1,5-dimethyl-, (5R)-
    • EN300-2987060
    • AS-82147
    • J-502131
    • P10820
    • CS-0002035
    • AKOS015850610
    • (5R)-1,5-dimethylpiperazin-2-one
    • SCHEMBL18689282
    • MFCD09878621
    • 1068149-96-1
    • MDL: MFCD09878621
    • Inchi: 1S/C6H12N2O/c1-5-4-8(2)6(9)3-7-5/h5,7H,3-4H2,1-2H3/t5-/m1/s1
    • InChI Key: TUXCFTFFNGQODI-RXMQYKEDSA-N
    • SMILES: O=C1CN[C@H](C)CN1C

Computed Properties

  • Exact Mass: 128.09500
  • Monoisotopic Mass: 128.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 124
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 32.3A^2
  • XLogP3: -0.5

Experimental Properties

  • Density: 0.985
  • Melting Point: NA
  • Boiling Point: 243 oC
  • Flash Point: 101 oC
  • PSA: 32.34000
  • LogP: -0.29680
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

(R)-1,5-Dimethylpiperazin-2-one Security Information

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Additional information on (R)-1,5-Dimethylpiperazin-2-one

Comprehensive Overview of (R)-1,5-Dimethylpiperazin-2-one (CAS No. 1068149-96-1): Properties, Applications, and Industry Insights

(R)-1,5-Dimethylpiperazin-2-one (CAS No. 1068149-96-1) is a chiral piperazine derivative gaining significant attention in pharmaceutical and chemical research. This compound, characterized by its stereospecific (R)-configuration, serves as a versatile building block in organic synthesis. Its molecular structure features a six-membered piperazin-2-one ring with two methyl substituents at positions 1 and 5, contributing to its unique physicochemical properties.

Recent studies highlight the growing demand for enantiomerically pure intermediates like (R)-1,5-Dimethylpiperazin-2-one, driven by advancements in asymmetric synthesis and drug development. Researchers particularly value its role in constructing bioactive molecules, where chirality often dictates pharmacological activity. The compound's CAS No. 1068149-96-1 has become a frequent search term among medicinal chemists exploring novel heterocyclic scaffolds for therapeutic applications.

From a synthetic perspective, (R)-1,5-Dimethylpiperazin-2-one offers several advantages. Its rigid piperazine core provides structural diversity while maintaining metabolic stability—a crucial factor in drug design optimization. Analytical techniques such as chiral HPLC and X-ray crystallography confirm its high enantiopurity, making it valuable for structure-activity relationship (SAR) studies. These properties align with current industry trends favoring fragment-based drug discovery approaches.

The compound's applications extend beyond pharmaceuticals. Material scientists investigate its potential as a ligand precursor in catalysis, particularly for asymmetric transformations. Its hydrogen-bonding capacity and conformational flexibility make it interesting for designing molecular recognition systems. These multidisciplinary uses explain why searches for "chiral piperazine derivatives" and "1068149-96-1 applications" have surged in academic databases.

Quality control of CAS No. 1068149-96-1 involves rigorous spectroscopic characterization, including NMR and mass spectrometry. Suppliers typically provide certificates of analysis detailing enantiomeric excess (ee) and chromatographic purity—key parameters for researchers. Storage recommendations emphasize protection from moisture at controlled temperatures to maintain stability, addressing common user queries about compound handling protocols.

Emerging research explores (R)-1,5-Dimethylpiperazin-2-one in computational chemistry models, leveraging its well-defined stereochemistry for molecular docking studies. This aligns with the pharmaceutical industry's shift toward AI-assisted drug discovery, where such chiral templates help validate in silico predictions. The compound's pharmacophore features also make it relevant to neuropharmacology investigations, particularly in receptor modulation research.

Environmental and safety assessments indicate that 1068149-96-1 requires standard laboratory precautions. While not classified as hazardous under current regulations, proper personal protective equipment (PPE) remains advisable during handling—a point frequently addressed in chemical safety guidelines. The compound's biodegradation profile and ecotoxicological data represent active research areas, reflecting the chemical industry's focus on green chemistry principles.

Market analyses suggest increasing procurement of (R)-1,5-Dimethylpiperazin-2-one by contract research organizations (CROs) and academic institutions. Its pricing reflects the technical challenges associated with chiral synthesis and purification. Current patent landscapes reveal innovative applications in prodrug development and targeted drug delivery systems, explaining its prominence in intellectual property searches.

Future directions for CAS No. 1068149-96-1 research may include exploring its polymeric derivatives for biomedical materials or investigating its metal coordination chemistry. The compound's structural features position it well for combinatorial chemistry libraries, addressing the pharmaceutical industry's need for diverse chemical space exploration. These potential applications continue to drive scientific interest and commercial demand for this specialized chiral building block.

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