1-Boc-2,2-dimethylpiperidin-4-one - CAS 346593-03-1

Catalog:	BB022223
Product Name:	1-Boc-2,2-dimethylpiperidin-4-one
CAS:	346593-03-1
Synonyms:	2,2-dimethyl-4-oxo-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 2,2-dimethyl-4-oxopiperidine-1-carboxylate

Technical Data

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Patents

Computed Properties

IUPAC Name:	tert-butyl 2,2-dimethyl-4-oxopiperidine-1-carboxylate
Description:	1-Boc-2,2-dimethylpiperidin-4-one (CAS# 346593-03-1) is a useful research chemical compound.
Molecular Weight:	227.30
Molecular Formula:	C12H21NO3
Canonical SMILES:	CC1(CC(=O)CCN1C(=O)OC(C)(C)C)C
InChI:	InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-6-9(14)8-12(13,4)5/h6-8H2,1-5H3
InChI Key:	DFWLCLMWDGTEHR-UHFFFAOYSA-N
Appearance:	Solid
LogP:	2.30290

Publication Number	Title	Priority Date
WO-2021146370-A1	Map4k1 inhibitors	20200115
WO-2021071806-A1	Arylmethylene heterocyclic compounds as kv1.3 potassium shaker channel blockers	20191007
WO-2021055630-A1	Substituted, saturated and unsaturated n-heterocyclic carboxamides and related compounds for their use in the treatment of medical disorders	20190917
EP-3782997-A1	Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases	20190819
WO-2020200316-A1	Pyrazolopyridine compound as ret inhibitor and application thereof	20190403

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Related Functional Groups

Piperidones

[52763-21-0]
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[1454-53-1]
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[1525448-33-2]
1-Boc-2,2-dimethyl-3-piperidinone
[1303968-37-7]
2,2-Dimethyl-4-piperidone Hydrochloride
[324769-06-4]
N-Boc-3,3-dimethyl-4-piperidone
[188869-05-8]
N-Boc-3-bromo-4-oxopiperidine

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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:	302
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:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2