1-[3-(trifluoromethoxy)phenyl]piperazin-2-one;hydrochloride


Chemical Name: 1-[3-(trifluoromethoxy)phenyl]piperazin-2-one;hydrochloride
CAS Number: 221039-89-0
Product Number: AG00BHSB(AGN-PC-03PAHB)
Synonyms:
MDL No:
Molecular Formula: C11H12ClF3N2O2
Molecular Weight: 296.6733896

Identification/Properties


Computed Properties
Molecular Weight:
296.674g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
296.054g/mol
Monoisotopic Mass:
296.054g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
309
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-(3-(Trifluoromethoxy)phenyl)piperazin-2-one hydrochloride is a versatile compound frequently employed in chemical synthesis as a key building block in the creation of various pharmaceuticals and agrochemicals. With its unique structure and properties, this molecule serves as a valuable starting material for the synthesis of a wide range of biologically active compounds.In chemical synthesis, 1-(3-(Trifluoromethoxy)phenyl)piperazin-2-one hydrochloride plays a crucial role as a precursor in the preparation of complex organic molecules. Its piperazin-2-one moiety allows for facile functionalization, enabling the introduction of different substituents to tailor the properties of the final product. Additionally, the trifluoromethoxy group confers desirable physicochemical characteristics, such as increased lipophilicity and metabolic stability, making it particularly useful in drug discovery and development.Due to its versatile nature and reactivity, this compound can undergo various synthetic transformations, including N-alkylation, acylation, and ring-closing reactions, leading to the formation of structurally diverse compounds with potential biological activities. Its utility extends beyond medicinal chemistry, also finding applications in the synthesis of advanced materials and bioactive molecules for agricultural purposes.Overall, the incorporation of 1-(3-(Trifluoromethoxy)phenyl)piperazin-2-one hydrochloride in chemical synthesis enables the efficient construction of complex molecules with tailored properties, making it a valuable tool for researchers and chemists engaged in the development of novel compounds with therapeutic or agricultural significance.