Cas no 200417-21-6 (4-(4-methylpiperidin-1-yl)aniline hydrochloride)

4-(4-Methylpiperidin-1-yl)aniline hydrochloride is a versatile organic compound featuring a piperidine-substituted aniline core, rendered water-soluble by its hydrochloride salt form. This intermediate is particularly valuable in pharmaceutical and agrochemical synthesis due to its reactive amine group and stable heterocyclic structure. The methylpiperidine moiety enhances lipophilicity, improving membrane permeability in bioactive molecules. Its hydrochloride form ensures consistent handling and storage stability. The compound is commonly employed in the development of receptor-targeting agents, serving as a key building block for ligands and small-molecule inhibitors. High-purity grades are available for research and industrial applications, supporting reproducible results in synthetic workflows.
4-(4-methylpiperidin-1-yl)aniline hydrochloride structure
200417-21-6 structure
Product Name:4-(4-methylpiperidin-1-yl)aniline hydrochloride
CAS No:200417-21-6
MF:C12H19ClN2
MW:226.745661973953
MDL:MFCD00156241
CID:3092573
PubChem ID:2873393
Update Time:2025-10-21

4-(4-methylpiperidin-1-yl)aniline hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 4-(4-Methylpiperidin-1-yl)aniline HCl
    • 4-(4-methylpiperidin-1-yl)aniline hydrochloride
    • [4-(4-Methylpiperidin-1-yl)phenyl]amine hydrochloride
    • 200417-21-6
    • 4-(4-methylpiperidin-1-yl)aniline;hydrochloride
    • MFCD00156241
    • AIA41721
    • CS-0212835
    • SB43337
    • EN300-13433
    • AKOS024398498
    • BS-27914
    • 4-(4-methylpiperidin-1-yl)anilinehydrochloride
    • 4-(4-Methylpiperidin-1-yl)aniline, HCl
    • MDL: MFCD00156241
    • Inchi: 1S/C12H18N2.ClH/c1-10-6-8-14(9-7-10)12-4-2-11(13)3-5-12;/h2-5,10H,6-9,13H2,1H3;1H
    • InChI Key: ZKKRNSDSAFXEPZ-UHFFFAOYSA-N
    • SMILES: Cl.N1(C2C=CC(=CC=2)N)CCC(C)CC1

Computed Properties

  • Exact Mass: 226.124
  • Monoisotopic Mass: 226.124
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 165
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 29.3?2

Experimental Properties

  • Melting Point: 238-240 °C

4-(4-methylpiperidin-1-yl)aniline hydrochloride Security Information

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Additional information on 4-(4-methylpiperidin-1-yl)aniline hydrochloride

Comprehensive Overview of 4-(4-methylpiperidin-1-yl)aniline hydrochloride (CAS No. 200417-21-6)

4-(4-methylpiperidin-1-yl)aniline hydrochloride (CAS No. 200417-21-6) is a specialized organic compound widely utilized in pharmaceutical research and fine chemical synthesis. This compound, characterized by its piperidine and aniline functional groups, has garnered significant attention due to its potential applications in drug discovery and material science. Its molecular structure, featuring a 4-methylpiperidin-1-yl moiety linked to an aniline hydrochloride group, makes it a versatile intermediate for designing bioactive molecules.

In recent years, the demand for 4-(4-methylpiperidin-1-yl)aniline hydrochloride has surged, particularly in the context of targeted drug delivery and small-molecule therapeutics. Researchers are increasingly exploring its role in modulating enzyme inhibition and receptor binding, aligning with the growing interest in precision medicine. The compound's CAS No. 200417-21-6 is frequently searched in academic databases, reflecting its relevance in medicinal chemistry and pharmacokinetic studies.

From a synthetic perspective, 4-(4-methylpiperidin-1-yl)aniline hydrochloride is synthesized through a multi-step process involving amine alkylation and salt formation. Its hydrochloride salt form enhances stability and solubility, making it suitable for high-throughput screening and in vitro assays. The compound's physicochemical properties, such as its melting point and partition coefficient, are critical for optimizing drug formulation and bioavailability.

The compound's applications extend beyond pharmaceuticals. It is also investigated in agrochemical research for developing novel pesticide intermediates and in material science for designing functional polymers. Its structural versatility allows for modifications that can tailor its properties for specific industrial needs, such as catalysis or surface modification.

Environmental and safety considerations are paramount when handling 4-(4-methylpiperidin-1-yl)aniline hydrochloride. While it is not classified as a hazardous substance, proper laboratory practices and personal protective equipment (PPE) are recommended to ensure safe usage. The compound's biodegradability and ecotoxicological profile are subjects of ongoing research, particularly in light of increasing regulatory scrutiny on chemical sustainability.

In the era of artificial intelligence and computational chemistry, CAS No. 200417-21-6 has emerged as a candidate for in silico modeling. Researchers leverage molecular docking and quantitative structure-activity relationship (QSAR) studies to predict its interactions with biological targets. This aligns with the broader trend of digital transformation in chemical research, where machine learning accelerates the discovery of novel compounds.

For suppliers and manufacturers, 4-(4-methylpiperidin-1-yl)aniline hydrochloride represents a niche yet growing market segment. Quality control measures, such as HPLC purity testing and spectroscopic characterization, are essential to meet the stringent requirements of pharmaceutical-grade materials. The compound's supply chain dynamics are influenced by factors like raw material availability and regulatory compliance, which are critical for stakeholders to monitor.

In conclusion, 4-(4-methylpiperidin-1-yl)aniline hydrochloride (CAS No. 200417-21-6) is a multifaceted compound with broad applications in life sciences and industrial chemistry. Its unique chemical properties and synthetic adaptability position it as a valuable asset in advancing innovative technologies and sustainable solutions. As research continues to uncover its potential, this compound is poised to play a pivotal role in shaping the future of chemical innovation.

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