3-(1-Piperidylmethyl)phenylboronic Acid - CAS 1032610-59-5

Catalog:	BB001066
Product Name:	3-(1-Piperidylmethyl)phenylboronic Acid
CAS:	1032610-59-5
Synonyms:	[3-(1-piperidinylmethyl)phenyl]boronic acid; [3-(piperidin-1-ylmethyl)phenyl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[3-(piperidin-1-ylmethyl)phenyl]boronic acid
Description:	3-(1-Piperidylmethyl)phenylboronic Acid (CAS# 1032610-59-5) is a useful research chemical.
Molecular Weight:	219.09
Molecular Formula:	C12H18NO2B
Canonical SMILES:	B(C1=CC(=CC=C1)CN2CCCCC2)(O)O
InChI:	InChI=1S/C12H18BNO2/c15-13(16)12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9,15-16H,1-3,7-8,10H2
InChI Key:	XXOOQRVPTGXIAP-UHFFFAOYSA-N
LogP:	0.29020

Publication Number	Title	Priority Date
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
EP-2245033-B1	Pyrrolopyrazine kinase inhibitors	20080225
US-2010267666-A1	Pyrrolopyrazine kinase inhibitors	20080225
US-8008298-B2	Pyrrolopyrazine kinase inhibitors	20080225

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Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.143059
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	219.143059
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0