Cas no 92647-73-9 (3-2-(piperidin-2-yl)ethyl-1H-indole)

3-2-(Piperidin-2-yl)ethyl-1H-indole is a heterocyclic compound featuring an indole core substituted with a 2-(piperidin-2-yl)ethyl group at the 3-position. This structure combines the pharmacophoric properties of both indole and piperidine moieties, making it a versatile intermediate in medicinal chemistry and drug discovery. The compound’s rigid yet flexible scaffold allows for potential interactions with biological targets, particularly in central nervous system (CNS) research. Its synthetic utility is enhanced by the presence of reactive sites for further functionalization, enabling the development of derivatives with tailored properties. The piperidine ring contributes to improved bioavailability and binding affinity, while the indole framework offers opportunities for exploring serotonin-related pathways. Suitable for research applications requiring precise molecular modifications.
3-2-(piperidin-2-yl)ethyl-1H-indole structure
92647-73-9 structure
Product Name:3-2-(piperidin-2-yl)ethyl-1H-indole
CAS No:92647-73-9
MF:C15H20N2
MW:228.332703590393
CID:800847
PubChem ID:53425024
Update Time:2025-10-22

3-2-(piperidin-2-yl)ethyl-1H-indole Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole,3-[2-(2-piperidinyl)ethyl]-
    • 3-(2-(PIPERIDIN-2-YL)ETHYL)-1H-INDOLE
    • 3-(2-piperidin-2-ylethyl)-1H-indole
    • 2-<2-Indolyl-(3)-aethyl>-piperidin
    • 2-<2-Indolyl-(3)-ethyl>-piperidin
    • 3-(2-piperidin-2-yl-ethyl)-indole
    • 3-2-(piperidin-2-yl)ethyl-1H-indole
    • 92647-73-9
    • DTXSID80698702
    • 3-[2-(piperidin-2-yl)ethyl]-1H-indole
    • 3-[2-(2-piperidinyl)ethyl]-1H-indole
    • EN300-1827625
    • CS-0458088
    • Inchi: 1S/C15H20N2/c1-2-7-15-14(6-1)12(11-17-15)8-9-13-5-3-4-10-16-13/h1-2,6-7,11,13,16-17H,3-5,8-10H2
    • InChI Key: INESWDCREILNOK-UHFFFAOYSA-N
    • SMILES: N1CCCCC1CCC1=CNC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 228.16300
  • Monoisotopic Mass: 228.163
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 241
  • 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: 3.3
  • Topological Polar Surface Area: 27.8A^2

Experimental Properties

  • PSA: 27.82000
  • LogP: 3.57140

3-2-(piperidin-2-yl)ethyl-1H-indole Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 3-2-(piperidin-2-yl)ethyl-1H-indole

Comprehensive Overview of 3-2-(piperidin-2-yl)ethyl-1H-indole (CAS No. 92647-73-9): Properties, Applications, and Research Insights

3-2-(piperidin-2-yl)ethyl-1H-indole, identified by its CAS No. 92647-73-9, is a structurally unique heterocyclic compound that has garnered significant attention in pharmaceutical and biochemical research. This compound combines an indole core with a piperidine moiety, creating a versatile scaffold for drug discovery and medicinal chemistry applications. Its molecular formula and intricate architecture make it a subject of interest for researchers exploring novel bioactive molecules.

In recent years, the demand for indole derivatives and piperidine-containing compounds has surged due to their widespread presence in FDA-approved drugs and natural products. The 3-2-(piperidin-2-yl)ethyl-1H-indole structure is particularly notable for its potential interactions with central nervous system (CNS) targets, aligning with current trends in neuroscience and neuropharmacology. Researchers are actively investigating its role in modulating neurotransmitter receptors, a hot topic in the context of mental health therapeutics.

The synthesis of CAS No. 92647-73-9 typically involves multi-step organic reactions, including cyclization and alkylation strategies. Advanced techniques like microwave-assisted synthesis and catalyzed cross-coupling have been explored to improve yield and purity—a frequent query among synthetic chemists in online forums. Analytical characterization via NMR spectroscopy, mass spectrometry, and HPLC confirms its structural integrity, addressing quality control concerns prevalent in academic and industrial settings.

From a pharmacological perspective, the piperidin-2-yl side chain in this compound enhances its lipophilicity and blood-brain barrier permeability, key factors debated in drug design communities. Computational studies using molecular docking suggest potential affinity for G-protein-coupled receptors (GPCRs), a trending subject in AI-driven drug discovery platforms. These attributes position 92647-73-9 as a candidate for further structure-activity relationship (SAR) studies.

Beyond therapeutics, 3-2-(piperidin-2-yl)ethyl-1H-indole has applications in material science, particularly in developing fluorescent probes due to the indole group's photophysical properties. This aligns with growing interest in bioimaging technologies, frequently searched in scientific databases. Environmental stability and degradation pathways of such compounds are also under scrutiny, reflecting the broader emphasis on green chemistry principles.

Ongoing research explores derivatives of CAS No. 92647-73-9 for selective enzyme inhibition, tapping into the popular discourse around personalized medicine. Patent literature indicates its utility in allosteric modulator designs, answering frequent industry queries about novel drug mechanisms. As regulatory agencies emphasize ICH guidelines, proper documentation of its physicochemical properties (e.g., logP, pKa) remains critical for compliance.

In conclusion, 3-2-(piperidin-2-yl)ethyl-1H-indole represents a multifaceted compound bridging medicinal chemistry and biotechnology. Its study addresses contemporary questions about drug-likeness and target specificity while offering practical solutions for researchers navigating high-throughput screening workflows. The compound's evolving narrative underscores the importance of interdisciplinary collaboration in modern scientific discovery.

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