3-(piperidin-1-ylmethyl)phenylboronic acid

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Molecular Formula:

C12H18BNO2

Molecular Weight:

219.09

Product Information

Molecular Formula:

C12H18BNO2

Molecular Weight:

219.09

Description

As a boronic acid derivative, 3-(piperidin-1-ylmethyl)phenylboronic acid exerts robust inhibitory effects on specific enzymes implicated in intricate cellular pathways. Its remarkable potential lies in its ability to selectively target distinct routes associated with diverse malignancies, diabetes, and inflammatory ailments.

Synonyms

(3-(Piperidin-1-ylmethyl)phenyl)boronic acid; [3-(piperidin-1-ylmethyl)phenyl]boronic acid; {3-[(Piperidin-1-yl)methyl]phenyl}boronic acid; 3-(1-Piperidylmethyl)phenylboronic Acid; 3-(1-Piperidinylmethyl)phenylboronic acid; (3-(Piperidin-1-ylmethyl)phenyl)boronicacid; 3-(piperidin-1-ylmethyl)phenylboronic acid; boronic acid, [3-(1-piperidinylmethyl)phenyl]-, hydrochloride

IUPAC Name

[3-(piperidin-1-ylmethyl)phenyl]boronic acid

Canonical SMILES

B(C1=CC(=CC=C1)CN2CCCCC2)(O)O

InChI

InChI=1S/C12H18BNO2/c15-13(16)12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9,15-16H,1-3,7-8,10H2

InChI Key

XXOOQRVPTGXIAP-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

219.1430590 g/mol

Monoisotopic Mass

219.1430590 g/mol

Topological Polar Surface Area

43.7Å²

Heavy Atom Count

Formal Charge

Complexity

207

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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3-(piperidin-1-ylmethyl)phenylboronic acid

Product Information

Computed Properties

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