4-(4-Acetyl-1-piperazinyl)phenylboronic Acid - CAS 1384954-82-8

Catalog:	BB008771
Product Name:	4-(4-Acetyl-1-piperazinyl)phenylboronic Acid
CAS:	1384954-82-8
Synonyms:	[4-(4-acetyl-1-piperazinyl)phenyl]boronic acid; [4-(4-acetylpiperazin-1-yl)phenyl]boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	[4-(4-acetylpiperazin-1-yl)phenyl]boronic acid
Description:	4-(4-Acetyl-1-piperazinyl)phenylboronic Acid (CAS# 1384954-82-8) is a useful research chemical.
Molecular Weight:	248.09
Molecular Formula:	C12H17N2O3B
Canonical SMILES:	B(C1=CC=C(C=C1)N2CCN(CC2)C(=O)C)(O)O
InChI:	InChI=1S/C12H17BN2O3/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(3-5-12)13(17)18/h2-5,17-18H,6-9H2,1H3
InChI Key:	NEPZCNSUXGOPPC-UHFFFAOYSA-N
LogP:	-0.96220

Publication Number	Title	Priority Date
WO-2020121261-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214
US-2020223827-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214
CN-113330001-A	3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same	20181214
EP-3894398-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214
KR-20210092312-A	3,3-difluoroallylamine or salts thereof and pharmaceutical compositions comprising the same	20181214

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Related Functional Groups

Boronic Acids and Esters

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4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
[850623-36-8]
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Complexity:	285
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.1332226
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	248.1332226
Rotatable Bond Count:	2
Topological Polar Surface Area:	64
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0