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1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine

1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine

Inquiry

Molecular Formula:

C17H26BNO2

Molecular Weight:

287.20

Product Information

Molecular Formula:

C17H26BNO2

Molecular Weight:

287.20

Description

1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine is a useful organic molecule widely used in biomedicine. It acts as a synthetic intermediate in the production of pharmaceuticals and shows efficacy as a key component in medicines used to treat neurological disorders and pain management.

Synonyms

3-Piperidinophenylboronic acid pinacol ester; 3-(Piperidin-1-yl)benzeneboronic acid, pinacol ester; 1-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine; 1-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-piperidine; 1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine

IUPAC Name

1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N3CCCCC3

InChI

InChI=1S/C17H26BNO2/c1-16(2)17(3,4)21-18(20-16)14-9-8-10-15(13-14)19-11-6-5-7-12-19/h8-10,13H,5-7,11-12H2,1-4H3

InChI Key

IIUXWPXCCXVCPD-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

287.2056592 g/mol

Monoisotopic Mass

287.2056592 g/mol

Topological Polar Surface Area

21.7Å²

Heavy Atom Count

Formal Charge

Complexity

350

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

Patents

Publication Number	Title	Priority Date
US-10227331-B2	Metallo-Î²-lactamase inhibitors	2015-06-26
US-2018179190-A1	Metallo-beta-lactamase inhibitors	2015-06-26
WO-2011124580-A1	Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use	2010-04-07
CA-2698511-A1	Substituted pyrimidinyl-amines as protein kinase inhibitors	2007-09-04
CA-2698511-C	Substituted pyrimidinyl-amines as protein kinase inhibitors	2007-09-04
EP-2200436-A1	Substituted pyrimidinyl-amines as protein kinase inhibitors	2007-09-04
EP-2200436-B1	Substituted pyrimidinyl-amines as protein kinase inhibitors	2007-09-04
JP-2010538076-A	Substituted pyrimidinyl-amines as protein kinase inhibitors	2007-09-04
JP-2015007102-A	Substituted pyrimidinyl-amines as protein kinase inhibitors	2007-09-04
JP-5611826-B2	Substituted pyrimidinyl-amines as protein kinase inhibitors	2007-09-04

Literatures

PMID	Publication Date	Title	Journal
5333	1976-04-01	A Canadian hospital security survey	Dimensions in health service

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

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The dilution calculator equation

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