4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid hydrochloride
Product Information
Molecular Formula
C12H18BClN2O3
Molecular Weight
284.55
Description
4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid hydrochloride possesses extraordinary versatility, rendering it indispensable within the realm of biomedicine. Serving as a pivotal intermediary in the chemical synthesis of pharmaceutical agents for multifarious ailments, this product emerges as an irreplaceable contributor to the pharmaceutical landscape. Facilitating the efficacy of drugs that target discrete receptors or enzymes, it wields paramount significance in ameliorating an extensive gamut of disorders and conditions.
Synonyms
N-4-Methylpiperazinyl 4-boronobenzamide hydrochloride; (4-(4-methylpiperazine-1-carbonyl)phenyl)boronic acid hydrochloride; (4-((4-METHYLPIPERAZIN-1-YL)CARBAMOYL)PHENYL)BORONIC ACID HCL; 4-[(4-Methylpiperazin-1-yl)carbonyl]benzeneboronic acid hydrochloride; [4-(4-Methylpiperazine-1-carbonyl)phenyl]boronic acid--hydrogen chloride (1/1); 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid hydrochloride; Boronicacid,b-[4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]-,hydrochloride(1:1)
IUPAC Name
[4-(4-methylpiperazine-1-carbonyl)phenyl]boronic acidhydrochloride
SMILES
B(C1=CC=C(C=C1)C(=O)N2CCN(CC2)C)(O)O.Cl
InChI
InChI=1S/C12H17BN2O3.ClH/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(5-3-10)13(17)18/h2-5,17-18H,6-9H2,1H31H
InChI Key
OUEWYSQRULKJEQ-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H319
Precautionary Statement
P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
284.1099003 g/mol
Monoisotopic Mass
284.1099003 g/mol
Topological Polar Surface Area
64Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
285
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
2
Compound Is Canonicalized
Yes
