4-(4-Methyl-1-piperazinyl)phenylboronic Acid - CAS 229009-40-9

Catalog:	BB017801
Product Name:	4-(4-Methyl-1-piperazinyl)phenylboronic Acid
CAS:	229009-40-9
Synonyms:	[4-(4-methyl-1-piperazinyl)phenyl]boronic acid; [4-(4-methylpiperazin-1-yl)phenyl]boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	[4-(4-methylpiperazin-1-yl)phenyl]boronic acid
Description:	4-(4-Methyl-1-piperazinyl)phenylboronic Acid (CAS# 229009-40-9) is a useful synthetic compound.
Molecular Weight:	220.08
Molecular Formula:	C11H17N2O2B
Canonical SMILES:	B(C1=CC=C(C=C1)N2CCN(CC2)C)(O)O
InChI:	InChI=1S/C11H17BN2O2/c1-13-6-8-14(9-7-13)11-4-2-10(3-5-11)12(15)16/h2-5,15-16H,6-9H2,1H3
InChI Key:	LSKYURVDOIDSCG-UHFFFAOYSA-N
Boiling Point:	406.2 °C at 760 mmHg
Density:	1.2 g/cm³
Appearance:	Solid
MDL:	MFCD11223486
LogP:	-0.87890

Publication Number	Title	Priority Date
WO-2021210970-A1	Pyridopyrimidinone derivatives and their use as aryl hydrocarbon receptor modulators	20200417
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327
EP-3868760-A1	2,3,5-substituted pyrrolo[2,3-b]pyridines as erbb modulators useful for treating cancer	20200220
WO-2021165497-A1	2,3,5-substituted pyrrolo[2,3-b]pyridines as erbb modulators useful for treating cancer	20200220
CN-113121528-A	Multi-target inhibition compound, composition, functional molecule and application thereof	20200115

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Related Functional Groups

Boronic Acids and Esters

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[470478-90-1]
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester
[2005430-90-8]
3-[[2-(Trimethylsilyl)ethoxy]methyl]-3H-imidazo[4,5-b]pyridine-6-boronic Acid Pinacol Ester
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4-(4-Piperidyl)phenylboronic Acid

Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.138308
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	220.138308
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0