chempirical

B-[4-(1-Piperidinylcarbonyl)phenyl]boronic acid

C12H16BNO3CAS 389621-83-4233.07 g/mol

Open in Covalent MOL file
OBOHOHN
AmideBoronic acid

Properties

Molecular formula
C12H16BNO3
Molar mass
233.07 g/mol
Exact mass
233.1223 Da
logP
-0.01Crippen estimate
Polar surface area
60.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
389621-83-4
SMILES
O=C(c1ccc(B(O)O)cc1)N1CCCCC1
InChIKey
PUXUKRSBJVVKMD-UHFFFAOYSA-N
InChI
InChI=1S/C12H16BNO3/c15-12(14-8-2-1-3-9-14)10-4-6-11(7-5-10)13(16)17/h4-7,16-17H,1-3,8-9H2

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Names and synonyms

5 names
  • Boronic acid, B-[4-(1-piperidinylcarbonyl)phenyl]-
  • Boronic acid, [4-(1-piperidinylcarbonyl)phenyl]-
  • 4-(Piperidin-1-ylcarbonyl)phenylboronic acid
  • 4-(Piperidine-1-carbonyl)benzeneboronic acid
  • [4-(Piperidine-1-carbonyl)phenyl]boronic acid

Work with B-[4-(1-Piperidinylcarbonyl)phenyl]boronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(4-(Morpholine-4-carbonyl)phenyl)boronic acid389621-84-574 % similar 1-(Quinoxalin-6-ylcarbonyl)piperidine154235-83-348 % similar 4-Carbamoylphenylboronic acid123088-59-547 % similar 4-Carboxyphenylboronic acid14047-29-147 % similar 4-(Ethoxycarbonyl)phenylboronic acid4334-88-746 % similar 4-(Methoxycarbonyl)phenylboronic acid99768-12-446 % similar 4-Acetylphenylboronic acid149104-90-546 % similar 4-(Methylcarbamoyl)benzeneboronic acid121177-82-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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