3-(1-Piperazinyl)phenylboronic Acid - CAS 1026029-59-3

Catalog:	BB000904
Product Name:	3-(1-Piperazinyl)phenylboronic Acid
CAS:	1026029-59-3
Synonyms:	[3-(1-piperazinyl)phenyl]boronic acid; (3-piperazin-1-ylphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(3-piperazin-1-ylphenyl)boronic acid
Description:	3-(1-Piperazinyl)phenylboronic Acid (CAS# 1026029-59-3 ) is a useful research chemical.
Molecular Weight:	206.05
Molecular Formula:	C10H15N2O2B
Canonical SMILES:	B(C1=CC(=CC=C1)N2CCNCC2)(O)O
InChI:	InChI=1S/C10H15BN2O2/c14-11(15)9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12,14-15H,4-7H2
InChI Key:	HWNJOZMADDNWFD-UHFFFAOYSA-N
LogP:	-0.83020

Publication Number	Title	Priority Date
AU-2016317806-A1	Heteroaryl compounds and their use as therapeutic drugs	20150831
CA-2995675-A1	Heteroaryl compounds and their use as therapeutic drugs	20150831
EP-3344613-A1	Heteroaryl compounds and their use as therapeutic drugs	20150831
KR-20180044995-A	Heteroaryl compounds and uses thereof as therapeutic agents	20150831
US-10125118-B2	Heteroaryl compounds and their use as therapeutic drugs	20150831

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Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.1226579
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	206.1226579
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0