[4-(1-Piperidin-1-ylethyl)phenyl]boronic acid

Inquiry

Molecular Formula:

C13H20BNO2

Molecular Weight:

233.11

Product Information

Molecular Formula:

C13H20BNO2

Molecular Weight:

233.11

Description

[4-(1-Piperidin-1-ylethyl)phenyl]boronic acid is a boronic acid derivative frequently used in biomedicine for Suzuki coupling reactions. It’s widely instrumental in drug discovery, often applied in the synthesis of pharmaceuticals treating neurological disorders.

Synonyms

{4-[1-(1-piperidinyl)ethyl]phenyl}boronic acid; (4-(1-(Piperidin-1-yl)ethyl)phenyl)boronic acid; 4-[1-(piperidin-1-yl)ethyl]phenylboronic acid; (4-(1-(Piperidin-1-yl)ethyl)phenyl)boronicacid; B-[4-[1-(1-Piperidinyl)ethyl]phenyl]boronic acid; [4-(1-Piperidin-1-ylethyl)phenyl]boronic acid

IUPAC Name

[4-(1-piperidin-1-ylethyl)phenyl]boronic acid

Canonical SMILES

B(C1=CC=C(C=C1)C(C)N2CCCCC2)(O)O

InChI

InChI=1S/C13H20BNO2/c1-11(15-9-3-2-4-10-15)12-5-7-13(8-6-12)14(16)17/h5-8,11,16-17H,2-4,9-10H2,1H3

InChI Key

AAVZQQFWPJUBCQ-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H318

Precautionary Statement

P280 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

233.1587090 g/mol

Monoisotopic Mass

233.1587090 g/mol

Topological Polar Surface Area

43.7Å²

Heavy Atom Count

Formal Charge

Complexity

224

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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[4-(1-Piperidin-1-ylethyl)phenyl]boronic acid

Product Information

Safety Information

Computed Properties

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