4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]benzoic acid


Chemical Name: 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]benzoic acid
CAS Number: 916421-44-8
Product Number: AG00H22P(AGN-PC-07A7XG)
Synonyms:
MDL No:
Molecular Formula: C17H23NO4
Molecular Weight: 305.3688

Identification/Properties


Computed Properties
Molecular Weight:
305.374g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
305.163g/mol
Monoisotopic Mass:
305.163g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
407
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P305+P351+P338-P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-(1-(tert-Butoxycarbonyl)piperidin-3-yl)benzoic acid is a versatile compound widely used in chemical synthesis as a key building block for the creation of complex molecular structures. This compound is particularly valuable for its ability to be incorporated into various chemical reactions to produce novel organic compounds. In organic synthesis, this acid can serve as a precursor for the synthesis of pharmaceuticals, agrochemicals, and other biologically active compounds. Its unique structure and reactivity make it a valuable tool for organic chemists seeking to create intricate molecules with specific properties and functions.