4-(4-Methylpiperazin-1-yl)phenylboronic acid

C₁₁H₁₇BN₂O₂CAS 229009-40-9220.08 g/mol

Open in Covalent MOL file

Boronic acid Tertiary amine

Properties

Molecular formula: C₁₁H₁₇BN₂O₂
Molar mass: 220.08 g/mol
Exact mass: 220.1383 Da
logP: -0.88Crippen estimate
Polar surface area: 46.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

229009-40-9

SMILES

B(C1=CC=C(C=C1)N2CCN(CC2)C)(O)O

InChIKey

LSKYURVDOIDSCG-UHFFFAOYSA-N

InChI

InChI=1S/C11H17BN2O2/c1-13-6-8-14(9-7-13)11-4-2-10(3-5-11)12(15)16/h2-5,15-16H,6-9H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(4-(4-Methylpiperazin-1-yl)phenyl)boronic acid

Work with 4-(4-Methylpiperazin-1-yl)phenylboronic 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-Morpholinophenylboronic acid186498-02-261 % similar 4-(Dimethylamino)phenylboronic acid28611-39-455 % similar 4-(4-Methylpiperazin-1-yl)aniline16153-81-455 % similar [4-(4-Methylpiperazin-1-yl)phenyl]methanamine216144-45-551 % similar 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-150 % similar 1-[4-(4-Methyl-1-piperazinyl)phenyl]ethanone26586-55-047 % similar 1-Methyl-4-(4-nitrophenyl)piperazine16155-03-646 % similar 1,4-Benzenediboronic acid4612-26-444 % similar

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

Same formula

2-Aminopyridine-4-boronic acid pinacol ester1195995-72-2 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine827614-64-2

Elsewhere

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