Benzonitrile, 2-(1-piperidinyl)-


Chemical Name: Benzonitrile, 2-(1-piperidinyl)-
CAS Number: 72752-52-4
Product Number: AG0033FK(AGN-PC-0KKW3J)
Synonyms:
MDL No: MFCD00049221
Molecular Formula: C12H14N2
Molecular Weight: 186.2530

Identification/Properties


Properties
MP:
45 °C
BP:
336.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
186.258g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
186.116g/mol
Monoisotopic Mass:
186.116g/mol
Topological Polar Surface Area:
27A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
222
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-(Piperidin-1-yl)benzonitrile is a versatile compound widely used in chemical synthesis due to its unique chemical properties. This compound serves as a valuable building block in the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals. Its piperidine moiety provides a crucial cyclic structure that enhances its reactivity and facilitates the formation of complex molecular structures. In organic synthesis, 2-(Piperidin-1-yl)benzonitrile can undergo functional group transformations, such as nucleophilic substitutions, reductions, and cross-coupling reactions, enabling the rapid construction of diverse chemical entities. This compound is particularly valuable in the development of novel drug candidates, where its presence can impart desirable biological activities or improve drug-like properties. Additionally, 2-(Piperidin-1-yl)benzonitrile is a key intermediate in the synthesis of various active pharmaceutical ingredients, making it a crucial component in the production of essential medicines. By leveraging the unique characteristics of this compound, chemists can explore innovative synthetic routes and create novel molecules with potential applications in various fields.