1-Piperidinecarboxylic acid, 3-cyano-, phenylmethyl ester


Chemical Name: 1-Piperidinecarboxylic acid, 3-cyano-, phenylmethyl ester
CAS Number: 885069-22-7
Product Number: AG00GRVO(AGN-PC-051MBK)
Synonyms:
MDL No:
Molecular Formula: C14H16N2O2
Molecular Weight: 244.2890

Identification/Properties


Computed Properties
Molecular Weight:
244.294g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
244.121g/mol
Monoisotopic Mass:
244.121g/mol
Topological Polar Surface Area:
53.3A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
328
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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-Cbz-3-Cyanopiperidine, also known as N-Boc-3-cyanopiperidine, is a versatile building block in organic synthesis due to its unique chemical properties. This compound is commonly used as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and fine chemicals. Its application in chemical synthesis lies in its ability to serve as a precursor for the introduction of functional groups such as amines, amides, and acids.One of the primary uses of 1-Cbz-3-Cyanopiperidine is in the synthesis of heterocyclic compounds, which are important structural motifs found in many bioactive molecules. By utilizing this compound as a starting material, chemists can easily introduce substituents and different functional groups to tailor the structure of the final product for desired properties and activities.Furthermore, 1-Cbz-3-Cyanopiperidine is a valuable intermediate in the preparation of pharmaceutical compounds, particularly in the development of new drugs targeting various diseases. Its chemical reactivity allows for the formation of complex molecules with high purity and yield, making it an essential building block in drug discovery and development.Overall, the versatility of 1-Cbz-3-Cyanopiperidine in chemical synthesis makes it a valuable tool for organic chemists in the production of diverse compounds with potential applications in pharmaceuticals, agrochemicals, and materials science.