1-Boc-2-oxopiperazine - CAS 889958-14-9

Catalog:	BB039310
Product Name:	1-Boc-2-oxopiperazine
CAS:	889958-14-9
Synonyms:	2-oxo-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 2-oxopiperazine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 2-oxopiperazine-1-carboxylate
Description:	1-Boc-2-oxopiperazine (CAS# 889958-14-9) is a useful research chemical.
Molecular Weight:	200.23
Molecular Formula:	C9H16N2O3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCNCC1=O
InChI:	InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-6-7(11)12/h10H,4-6H2,1-3H3
InChI Key:	SORUSJZOKKMNQS-UHFFFAOYSA-N
LogP:	0.62000

Publication Number	Title	Priority Date
WO-2019217972-A1	Kdm1a inhibitors for the treatment of disease	20180511
AU-2019265022-A1	KDM1A inhibitors for the treatment of disease	20180511
CA-3103392-A1	Kdm1a inhibitors for the treatment of disease	20180511
CN-112513020-A	KDM1A inhibitors for the treatment of disease	20180511
EP-3790867-A1	Kdm1a inhibitors for the treatment of disease	20180511

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Related Functional Groups

Piperazines

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[1423024-26-3]
N''-(piperazine-1-carboximidoyl)guanidine trihydrochloride
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N1-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)phenyl)-N4,N4-dimethylbenzene-1,4-disulfonamide
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6,6-dimethyl-1-(propan-2-yl)piperazin-2-one
[402832-69-3]
(2S,6S)-2,6-Dimethylpiperazine

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:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.11609238
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.11609238
Rotatable Bond Count:	2
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3