Piperidine, 1-(1-oxo-2-propenyl)-


Chemical Name: Piperidine, 1-(1-oxo-2-propenyl)-
CAS Number: 10043-37-5
Product Number: AG0001Z3(AGN-PC-000FO2)
Synonyms:
MDL No:
Molecular Formula: C8H13NO
Molecular Weight: 139.1949

Identification/Properties


Computed Properties
Molecular Weight:
139.198g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
139.1g/mol
Monoisotopic Mass:
139.1g/mol
Topological Polar Surface Area:
20.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
136
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



1-(Piperidin-1-yl)prop-2-en-1-one is a versatile compound widely used in chemical synthesis for its unique reactivity and functional groups. In organic chemistry, it serves as a key building block for the synthesis of various complex molecules due to its ability to participate in a range of important reactions.One of the common applications of 1-(Piperidin-1-yl)prop-2-en-1-one is in the formation of heterocyclic compounds. By reacting with different reagents and undergoing cyclization reactions, this compound can be used to synthesize a variety of heterocycles such as pyrrolidines, piperidines, and pyrrolizidines. These heterocyclic compounds are important scaffolds found in many biologically active molecules and pharmaceuticals.Additionally, 1-(Piperidin-1-yl)prop-2-en-1-one can also be utilized in the synthesis of chiral compounds. Through enantioselective catalysis or chiral auxiliary strategies, this compound can be incorporated into asymmetric synthesis routes to access enantiomerically pure molecules with high optical purity. This is particularly valuable in the pharmaceutical industry where chirality plays a crucial role in drug efficacy and safety.Furthermore, the presence of both a piperidine ring and an enone moiety in this compound offers opportunities for diverse transformations such as conjugate additions, nucleophilic additions, and reductive aminations. These reactions allow for the introduction of various functional groups, enabling the synthesis of complex molecules with specific properties and activities.In conclusion, 1-(Piperidin-1-yl)prop-2-en-1-one plays a significant role in chemical synthesis by serving as a versatile intermediate for the construction of heterocyclic compounds, chiral molecules, and functionalized derivatives. Its reactivity and structural features make it a valuable tool for organic chemists in the design and production of new compounds with diverse applications.