tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate

C11H19NO3CAS 190906-92-4213.28 g/mol

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ONOO
CarbamateKetone

Properties

Molecular formula
C11H19NO3
Molar mass
213.28 g/mol
Exact mass
213.1365 Da
logP
1.97Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
190906-92-4
SMILES
CC1CC(=O)CCN1C(=O)OC(C)(C)C
InChIKey
HQMYWQCBINPHBB-UHFFFAOYSA-N
InChI
InChI=1S/C11H19NO3/c1-8-7-9(13)5-6-12(8)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3

Weigh it out

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

Names and synonyms

7 names
  • 1-Piperidinecarboxylic acid, 2-methyl-4-oxo-, 1,1-dimethylethyl ester
  • 1-tert-Butoxycarbonyl-2-methyl-4-piperidone
  • 2-Methyl-4-oxo-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
  • 2-Methyl-4-oxopiperidine-1-carboxylic acid tert-butyl ester
  • 1-(tert-Butoxycarbonyl)-2-methylpiperidin-4-one
  • 1,1-Dimethylethyl 2-methyl-4-oxo-1-piperidinecarboxylate
  • 1-Boc-2-methyl-4-piperidinone

Work with tert-Butyl 2-methyl-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Piperidinecarboxylicacid,2-methyl-4-oxo-,1,1-dimethylethylester,(2R)-(9ci)790667-43-5Defined stereoisomer

Similar compounds

1-tert-Butyl 2-methyl 4-oxopiperidine-1,2-dicarboxylate81357-18-861 % similar 1-Boc-2-phenyl-piperidin-4-one849928-30-959 % similar tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-257 % similar 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate169447-70-557 % similar (R)-1-N-Boc-2-methylpiperazine170033-47-357 % similar 1-Boc-2-benzyl-piperidin-4-one193480-28-356 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-355 % similar 3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate1147557-97-8 1-Boc-piperidine-3-carboxaldehyde118156-93-7 1-tert-Butoxycarbonyl-4-piperidinecarboxaldehyde137076-22-3 tert-Butyl 1-oxa-6-azaspiro(2.5)octane-6-carboxylate147804-30-6 tert-Butyl N-(4-oxocyclohexyl)carbamate179321-49-4 tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate181269-69-2 N-Boc-hexahydro-1H-azepin-4-one188975-88-4

Elsewhere

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