2-(1-Piperazinyl)pyridine-5-boronic Acid Pinacol Ester

Product Information

Molecular Formula:
C15H24N3O2B
Molecular Weight:
289.18
Description
2-(1-Piperazinyl)pyridine-5-boronic Acid Pinacol Ester (CAS# 871125-86-9) is a useful research chemical.
Synonyms
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine; 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
IUPAC Name
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCNCC3
InChI
InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(18-11-12)19-9-7-17-8-10-19/h5-6,11,17H,7-10H2,1-4H3
InChI Key
MEHCIETYEUUYGC-UHFFFAOYSA-N
Boiling Point
450.8 °C at 760 mmHg
Melting Point
137-142 °C
Flash Point
Not applicable
Purity
97 %
Density
1.11 g/cm3
LogP
1.18420

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
289.1961572 g/mol
Monoisotopic Mass
289.1961572 g/mol
Topological Polar Surface Area
46.6Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
356
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

Patents

Publication Number Title Priority Date
WO-2022032026-A1 Compounds for targeted degradation of ret 2020-08-05
WO-2021221169-A1 Pyrimidin-4(3h)-one derivatives as trpv4 antagonists 2020-04-30
US-2021106588-A1 Bicyclic heterocycles as fgfr inhibitors 2019-10-14
WO-2021076602-A1 Bicyclic heterocycles as fgfr inhibitors 2019-10-14
TW-202128685-A Bicyclic heterocycles as fgfr inhibitors 2019-10-14
CN-113164476-A Small molecule inhibitor of DYRK1/CLK and application thereof 2018-09-28
US-2022041590-A1 Small molecule inhibitors of dyrk/clk and uses thereof 2018-09-28
WO-2019235579-A1 Polymeric dye for detection of hydrogen peroxide and structure for hydrogen peroxide detection 2018-06-07
US-2021096081-A1 Polymer dye for detecting hydrogen peroxide and structure for detecting hydrogen peroxide 2018-06-07
US-2020039989-A1 Small molecule inhibitors of dyrk/clk and uses thereof 2018-03-01
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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