Cas no 10043-37-5 (1-(piperidin-1-yl)prop-2-en-1-one)

1-(piperidin-1-yl)prop-2-en-1-one is a versatile compound with a piperidinyl substituent at the α-position of a prop-2-en-1-one core. This structure offers enhanced solubility and stability, facilitating its use in various chemical reactions. Its unique aromatic and aliphatic characteristics make it a valuable intermediate in the synthesis of pharmacologically active compounds and fine chemicals.
1-(piperidin-1-yl)prop-2-en-1-one structure
10043-37-5 structure
Product Name:1-(piperidin-1-yl)prop-2-en-1-one
CAS No:10043-37-5
MF:C8H13NO
MW:139.194922208786
CID:97619
PubChem ID:350473
Update Time:2025-11-01

1-(piperidin-1-yl)prop-2-en-1-one Chemical and Physical Properties

Names and Identifiers

    • Piperidine, 1-(1-oxo-2-propenyl)-
    • 1-(piperidin-1-yl)prop-2-en-1-one
    • 1-piperidin-1-ylprop-2-en-1-one
    • 2-propen-1-one, 1-(1-piperidinyl)-
    • 1-piperidylprop-2-en-1-one
    • NSC-511363
    • CS-0159790
    • DTXSID20325560
    • AKOS009809080
    • EN300-130545
    • NSC511363
    • n-acryloylpiperidine
    • Z440633600
    • PD063473
    • RESPXSHDJQUNTN-UHFFFAOYSA-N
    • SCHEMBL37699
    • CHEMBL3352945
    • acrylic acid piperidide
    • F86953
    • MFCD00085224
    • 10043-37-5
    • FT-0754265
    • DA-16503
    • BRD-K28042756-001-01-9
    • Inchi: 1S/C8H13NO/c1-2-8(10)9-6-4-3-5-7-9/h2H,1,3-7H2
    • InChI Key: RESPXSHDJQUNTN-UHFFFAOYSA-N
    • SMILES: O=C(C=C)N1CCCCC1

Computed Properties

  • Exact Mass: 139.09979
  • Monoisotopic Mass: 139.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 136
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • Density: 0.991
  • Boiling Point: 271.3°C at 760 mmHg
  • Flash Point: 123.1°C
  • Refractive Index: 1.484
  • PSA: 20.31
  • LogP: 1.12280

1-(piperidin-1-yl)prop-2-en-1-one Pricemore >>

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Additional information on 1-(piperidin-1-yl)prop-2-en-1-one

Chemical Overview of 1-(Piperidin-1-yl)prop-2-en-1-one (CAS No. 10043-37-5)

1-(Piperidin-1-yl)prop-2-en-1-one, also known by its CAS registry number 10043-37-5, is a versatile organic compound with significant applications in various fields, including pharmaceuticals, agrochemicals, and materials science. This compound belongs to the class of enones, which are well-known for their participation in various chemical reactions, particularly in the realm of organic synthesis. The molecule consists of a piperidine ring fused with a propenone group, creating a structure that exhibits unique electronic and steric properties.

Recent advancements in synthetic chemistry have highlighted the potential of 1-(Piperidin-1-yl)prop-2-en-1-one as a key intermediate in the construction of complex molecular frameworks. Its ability to undergo a wide range of reactions, such as Michael additions, cycloadditions, and organocatalytic transformations, has made it an invaluable tool for researchers aiming to develop novel bioactive compounds. For instance, studies published in leading journals like *Journal of the American Chemical Society* and *Angewandte Chemie* have demonstrated its utility in the synthesis of heterocyclic compounds with potential applications in drug discovery.

The structural features of 1-(Piperidin-1-yl)prop-2-en-1-one are particularly advantageous for modulating biological activity. The piperidine ring contributes to the compound's lipophilicity and rigidity, while the enone group serves as an electrophilic site for nucleophilic attacks. This combination allows for the creation of molecules with tailored pharmacokinetic profiles, making them suitable for targeting specific biological pathways. Recent research has focused on its role in designing inhibitors for enzymes such as kinases and proteases, which are implicated in various diseases, including cancer and neurodegenerative disorders.

In addition to its role in drug discovery, 1-(Piperidin-1-yL)propenone has found applications in agrochemicals. Its ability to act as a precursor for bioactive compounds with pesticidal or fungicidal properties has been explored extensively. For example, studies have shown that derivatives of this compound can exhibit potent activity against plant pathogens without causing significant harm to non-target organisms. This makes it a promising candidate for sustainable agricultural practices.

The synthesis of CAS No. 10043-37-5 has also been optimized through green chemistry approaches. Traditional methods often involved multi-step procedures with low yields and high environmental costs. However, recent advancements have introduced more efficient routes, such as one-pot syntheses and catalytic processes that minimize waste and energy consumption. These developments align with global efforts to promote environmentally friendly chemical manufacturing.

Furthermore, computational chemistry has played a pivotal role in understanding the reactivity and selectivity of 1-(Piperidin-YL)propenone. By employing density functional theory (DFT) calculations and molecular docking studies, researchers have gained insights into its interaction with biological targets at the atomic level. This computational approach has significantly accelerated the design and optimization of new compounds derived from this enone scaffold.

In conclusion, CAS No. 10043-YL-propenone stands out as a multifaceted compound with immense potential across diverse industries. Its unique chemical properties, coupled with cutting-edge research findings, underscore its importance as a building block for innovative solutions in medicine and agriculture. As ongoing studies continue to uncover new applications and improve synthetic methodologies, this compound is poised to remain at the forefront of chemical innovation.

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