1-Boc-3,5-dimethyl-4-piperidinone - CAS 475085-34-8

Catalog:	BB026324
Product Name:	1-Boc-3,5-dimethyl-4-piperidinone
CAS:	475085-34-8
Synonyms:	3,5-dimethyl-4-oxo-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3,5-dimethyl-4-oxopiperidine-1-carboxylate

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Computed Properties

IUPAC Name:	tert-butyl 3,5-dimethyl-4-oxopiperidine-1-carboxylate
Description:	1-Boc-3,5-dimethyl-4-piperidinone (CAS# 475085-34-8) is a useful research chemical.
Molecular Weight:	227.30
Molecular Formula:	C12H21NO3
Canonical SMILES:	CC1CN(CC(C1=O)C)C(=O)OC(C)(C)C
InChI:	InChI=1S/C12H21NO3/c1-8-6-13(7-9(2)10(8)14)11(15)16-12(3,4)5/h8-9H,6-7H2,1-5H3
InChI Key:	WTHLCGOZBTXTTE-UHFFFAOYSA-N
LogP:	2.01630

Publication Number	Title	Priority Date
TW-201927302-A	Mitochondrial inhibitor for the treatment of proliferative disorders	20171012
WO-2019072978-A1	MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS	20171012
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WO-2018071404-A1	Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof	20161011
US-10246436-B2	6-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same	20150902

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	279
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.15214353
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	227.15214353
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7