Cas no 1193388-17-8 (2-(piperidin-1-yl)pyridin-3-amine dihydrochloride)

2-(Piperidin-1-yl)pyridin-3-amine dihydrochloride is a chemically synthesized organic compound featuring a pyridine core substituted with a piperidinyl group at the 2-position and an amine at the 3-position, presented as its dihydrochloride salt for enhanced stability and solubility. This intermediate is valuable in pharmaceutical and agrochemical research, particularly in the development of bioactive molecules. Its structural motif is conducive to interactions with biological targets, making it useful for ligand design and medicinal chemistry applications. The dihydrochloride form ensures improved handling and storage characteristics, while the amine functionality allows for further derivatization. Suitable for controlled laboratory use under appropriate safety protocols.
2-(piperidin-1-yl)pyridin-3-amine dihydrochloride structure
1193388-17-8 structure
Product Name:2-(piperidin-1-yl)pyridin-3-amine dihydrochloride
CAS No:1193388-17-8
MF:C10H16ClN3
MW:213.707140922546
CID:4576678
Update Time:2025-08-05

2-(piperidin-1-yl)pyridin-3-amine dihydrochloride Chemical and Physical Properties

Names and Identifiers

    • 2-(piperidin-1-yl)pyridin-3-amine dihydrochloride
    • Inchi: 1S/C10H15N3.ClH/c11-9-5-4-6-12-10(9)13-7-2-1-3-8-13;/h4-6H,1-3,7-8,11H2;1H
    • InChI Key: WTQGNKDOSIPBCK-UHFFFAOYSA-N
    • SMILES: NC1C=CC=NC=1N1CCCCC1.Cl

Computed Properties

  • Exact Mass: 249.08
  • Monoisotopic Mass: 249.08
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 154
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 42.2A^2

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Additional information on 2-(piperidin-1-yl)pyridin-3-amine dihydrochloride

Introduction to 2-(piperidin-1-yl)pyridin-3-amine dihydrochloride (CAS No. 1193388-17-8)

2-(piperidin-1-yl)pyridin-3-amine dihydrochloride, identified by the Chemical Abstracts Service Number (CAS No.) 1193388-17-8, is a significant compound in the realm of pharmaceutical chemistry and drug discovery. This bisubstituted amine derivative has garnered attention due to its structural complexity and potential biological activities, making it a subject of extensive research in medicinal chemistry. The compound features a piperidine ring linked to a pyridine moiety, with an amine group at the 3-position of the pyridine ring, all rendered in its dihydrochloride salt form for enhanced solubility and stability.

The structural framework of 2-(piperidin-1-yl)pyridin-3-amine dihydrochloride contributes to its unique chemical properties and reactivity. The piperidine ring, a six-membered heterocyclic structure containing a nitrogen atom, is known for its ability to form stable hydrogen bonds and interact with biological targets such as enzymes and receptors. This feature is particularly valuable in drug design, where precise molecular interactions are crucial for efficacy. The pyridine ring, on the other hand, introduces additional electronic and steric effects that can modulate the compound's binding affinity and selectivity.

In recent years, 2-(piperidin-1-yl)pyridin-3-amine dihydrochloride has been explored in various therapeutic contexts, particularly in the development of small-molecule inhibitors targeting key biological pathways. Its dual amine functionality allows for versatile chemical modifications, enabling researchers to fine-tune its pharmacological profile. For instance, derivatives of this compound have been investigated for their potential in oncology, where they may interfere with signaling pathways involved in cancer cell proliferation and survival.

One of the most compelling aspects of 2-(piperidin-1-yl)pyridin-3-amine dihydrochloride is its role as a scaffold for structure-based drug design. Computational modeling studies have demonstrated that this compound can effectively bind to specific protein targets by leveraging both hydrophobic and hydrophilic interactions. Such insights have guided the synthesis of novel analogs with improved pharmacokinetic properties and reduced toxicity. The dihydrochloride salt form further enhances these attributes by improving water solubility, which is critical for oral and intravenous formulations.

The pharmaceutical industry has shown particular interest in 2-(piperidin-1-yl)pyridin-3-amine dihydrochloride due to its potential applications in treating neurological disorders. Preclinical studies suggest that this compound may modulate neurotransmitter systems involved in conditions such as depression and anxiety. By interacting with receptors like serotonin or dopamine transporters, it could offer a novel mechanism of action compared to existing treatments. These findings have spurred further investigation into its therapeutic potential.

Moreover, the synthesis of 2-(piperidin-1-yl)pyridin-3-amine dihydrochloride presents an interesting challenge for organic chemists. The multi-step process typically involves condensation reactions, nucleophilic substitutions, and salt formation steps, each requiring careful optimization to ensure high yield and purity. Advances in synthetic methodologies have made it possible to produce this compound on a scalable basis, facilitating its use in both academic research and industrial applications.

Recent advancements in spectroscopic techniques have provided deeper insights into the molecular behavior of 2-(piperidin-1-yl)pyridin-3-amine dihydrochloride. NMR spectroscopy, for example, has been instrumental in elucidating its conformations in solution, while X-ray crystallography has revealed detailed structural information about its solid-state form. These analytical methods are essential for understanding how the compound interacts with biological targets at the atomic level.

The regulatory landscape also plays a crucial role in the development and commercialization of 2-(piperidin-1-yl)pyridin-3-amine dihydrochloride. Compliance with Good Manufacturing Practices (GMP) ensures that pharmaceutical-grade material is produced consistently and safely. Additionally, rigorous toxicological assessments are conducted to evaluate potential side effects before human clinical trials can commence. These steps are vital for ensuring patient safety while advancing therapeutic options.

In conclusion,2-(piperidin-1-ylo pyridin - 3 - am ine dihy droch lor ide) (CAS No . 1193388 - 17 - 8 ) represents a promising candidate for further pharmaceutical development . Its unique structural features , combined with its potential biological activities , make it an attractive scaffold for designing novel therapeutics . As research continues , it is likely that new applications for this compound will emerge , further solidifying its importance in medicinal chemistry . p >

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