3-(Piperidine-1-carbonyl)phenylboronic acid
Product Information
Molecular Formula
C12H16BNO3
Molecular Weight
233.07
Description
3-(piperidine-1-carbonyl)phenylboronic acid plays a key role in drug development for a variety of diseases, including malignant tumors, blood sugar disorders, and inflammatory diseases. Leveraging its unique structure and intrinsic features, it facilitates precise drug delivery while blocking abnormal cellular cascades.
Synonyms
[3-(piperidine-1-carbonyl)phenyl]boronic acid; 3-(Piperidine-1-carbonyl)benzeneboronic acid; (3-(Piperidine-1-carbonyl)phenyl)boronic acid; 3-(PIPERIDINE-1-CARBONYL)PHENYLBORONICACID; [3-(1-piperidinylcarbonyl)phenyl]boronic acid; 3-(1-Piperidinylcarbonyl)benzeneboronic acid, 97%; 3-(piperidine-1-carbonyl)phenylboronic acid
IUPAC Name
[3-(piperidine-1-carbonyl)phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)C(=O)N2CCCCC2)(O)O
InChI
InChI=1S/C12H16BNO3/c15-12(14-7-2-1-3-8-14)10-5-4-6-11(9-10)13(16)17/h4-6,9,16-17H,1-3,7-8H2
InChI Key
XFTARKGZGNWJJT-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
98%
Safety Information
Hazards
H318
Precautionary Statement
P280 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
233.1223235 g/mol
Monoisotopic Mass
233.1223235 g/mol
Topological Polar Surface Area
60.8Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
267
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
