1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid


Chemical Name: 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid
CAS Number: 181811-46-1
Product Number: AG00ABXR(AGN-PC-0KEJBH)
Synonyms:
MDL No: MFCD03830245
Molecular Formula: C13H14N2O3
Molecular Weight: 246.2619

Identification/Properties


Computed Properties
Molecular Weight:
246.266g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
246.1g/mol
Monoisotopic Mass:
246.1g/mol
Topological Polar Surface Area:
66.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
315
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-(Benzo[d]oxazol-2-yl)piperidine-4-carboxylic acid is a valuable compound in chemical synthesis due to its versatile applications. This compound serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and materials. Its unique structure and reactivity make it an essential component in the development of novel compounds with potential therapeutic benefits. Specifically, in medicinal chemistry, this compound is used as a core structure for designing new drug candidates targeting various diseases. By incorporating 1-(Benzo[d]oxazol-2-yl)piperidine-4-carboxylic acid into the molecular structure, chemists can modulate the properties and functions of the resulting molecules, enhancing their bioactivity and efficacy. Additionally, in materials science, this compound is employed in the synthesis of advanced materials with tailored properties for applications in electronics, catalysis, and other fields. Its ability to undergo diverse chemical transformations makes it a valuable tool for creating innovative molecules and materials with enhanced performance characteristics.