4-Boc-3,3-dimethyl-2-piperazinone - CAS 1104383-06-3

Catalog:	BB002627
Product Name:	4-Boc-3,3-dimethyl-2-piperazinone
CAS:	1104383-06-3
Synonyms:	2,2-dimethyl-3-oxo-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate
Description:	4-Boc-3,3-dimethyl-2-piperazinone (CAS# 1104383-06-3) is a useful research chemical.
Molecular Weight:	228.29
Molecular Formula:	C11H20N2O3
Canonical SMILES:	CC1(C(=O)NCCN1C(=O)OC(C)(C)C)C
InChI:	InChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)13-7-6-12-8(14)11(13,4)5/h6-7H2,1-5H3,(H,12,14)
InChI Key:	ADXBXIQTAQOYRW-UHFFFAOYSA-N
LogP:	1.39860

Publication Number	Title	Priority Date
WO-2018057588-A1	Furo[3,2-b]pyridine compounds useful as inhibitors of the par-2 signaling pathway	20160921
EP-3350177-A1	Heteroaryl compounds as irak inhibitors and uses thereof	20150918
JP-2018531920-A	Heteroaryl compounds as IRAK inhibitors and uses thereof	20150918
KR-20180064382-A	Heteroaryl compounds as IRAK inhibitors and uses thereof	20150918
US-10059701-B2	Heteroaryl compounds as IRAK inhibitors and uses thereof	20150918

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	305
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.14739250
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.14739250
Rotatable Bond Count:	2
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8