Methyl 4-(4-piperidyl)benzoate hydrochloride


Chemical Name: Methyl 4-(4-piperidyl)benzoate hydrochloride
CAS Number: 936130-82-4
Product Number: AG00GRQA(AGN-PC-068B90)
Synonyms:
MDL No:
Molecular Formula: C13H18ClNO2
Molecular Weight: 255.7405

Identification/Properties


Properties
BP:
371.4°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
255.742g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
255.103g/mol
Monoisotopic Mass:
255.103g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
228
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 4-(piperidin-4-yl)benzoate hydrochloride is a versatile compound widely utilized in chemical synthesis due to its unique properties and reactivity. In the field of organic chemistry, this compound serves as a valuable building block for the synthesis of various pharmaceuticals, agrochemicals, and fine chemicals. Its distinct structure containing both ester and piperidine moieties allows for diverse functional group transformations, making it a valuable intermediate in the preparation of complex molecules. By selectively modifying different functional groups on the molecule, chemists can access a wide range of derivatives with tailored properties for specific applications. Additionally, the hydrochloride salt form of this compound provides enhanced stability and solubility in aqueous solutions, facilitating its use in various reaction conditions. Whether employed in the development of new drugs, innovative materials, or specialty chemicals, Methyl 4-(piperidin-4-yl)benzoate hydrochloride continues to play a crucial role in advancing the frontier of chemical synthesis.