tert-Butyl 2,2-dimethyl-4-oxopiperidine-1-carboxylate

C₁₂H₂₁NO₃CAS 346593-03-1227.30 g/mol

Open in Covalent MOL file

Carbamate Ketone

Properties

Molecular formula: C₁₂H₂₁NO₃
Molar mass: 227.30 g/mol
Exact mass: 227.1521 Da
logP: 2.37Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H302+H332 Harmful if swallowed or if inhaled33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

346593-03-1

SMILES

CC1(CC(=O)CCN1C(=O)OC(C)(C)C)C

InChIKey

DFWLCLMWDGTEHR-UHFFFAOYSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2,2-Dimethyl-4-oxopiperidine-1-carboxylic acid tert-butyl ester

Work with tert-Butyl 2,2-dimethyl-4-oxopiperidine-1-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-358 % similar 3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-755 % similar N-Boc-hexahydro-1H-azepin-4-one188975-88-453 % similar tert-Butyl 2,4-dioxopiperidine-1-carboxylate845267-78-951 % similar tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate190906-92-449 % similar 1-Piperidinecarboxylicacid,2-methyl-4-oxo-,1,1-dimethylethylester,(2R)-(9ci)790667-43-549 % similar tert-Butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate203661-69-249 % similar tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butyl 2-oxa-6-azaspiro[3.5]nonane-6-carboxylate1245816-29-8 tert-Butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate143557-91-9 rac-tert-Butyl N-[(1r,4r)-4-formylcyclohexyl]carbamate181308-57-6 1-Boc-4-formyl-4-methyl-piperidine189442-92-0 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester206989-61-9 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-8 1-(tert-Butoxycarbonyl)-3,3-dimethyl-4-oxopiperidine324769-06-4 1,1-Dimethylethyl N-methyl-N-(4-oxocyclohexyl)carbamate400899-84-5

Elsewhere

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