[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid


Chemical Name: [3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid
CAS Number: 937048-39-0
Product Number: AG00GTEM(AGN-PC-03ON7N)
Synonyms:
MDL No:
Molecular Formula: C15H23BN2O4
Molecular Weight: 306.1651

Identification/Properties


Computed Properties
Molecular Weight:
306.169g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
306.175g/mol
Monoisotopic Mass:
306.175g/mol
Topological Polar Surface Area:
73.2A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
378
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

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NMR Spectrum


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Chemical Structure



The (3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenyl)boronic acid is a versatile intermediate utilized in chemical synthesis as a potent building block for constructing various pharmaceuticals and organic compounds. With its unique structural features, this compound serves as an essential component in the creation of specialized molecules due to its boronic acid functionality, which enables selective binding to certain biological targets. Additionally, its piperazine moiety provides opportunities for forming diverse molecular architectures and enhancing drug-like properties. Overall, this compound plays a crucial role in medicinal chemistry and drug discovery efforts by facilitating the synthesis of novel compounds with potential therapeutic applications.