tert-Butyl 4-oxopiperidine-1-carboxylate

C10H17NO3CAS 79099-07-3199.25 g/mol

Open in Covalent MOL file
OONO
CarbamateKetone

Properties

Molecular formula
C10H17NO3
Molar mass
199.25 g/mol
Exact mass
199.1208 Da
Melting point
64–65 °C
logP
1.59Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 13 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
79099-07-3
SMILES
CC(C)(C)OC(=O)N1CCC(=O)CC1
InChIKey
ROUYFJUVMYHXFJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h4-7H2,1-3H3

Weigh it out

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

Names and synonyms

26 names · show all
  • 1-Piperidinecarboxylic acid, 4-oxo-, 1,1-dimethylethyl ester
  • 1-(tert-Butoxycarbonyl)-4-piperidinone
  • N-(tert-Butoxycarbonyl)-4-piperidinone
  • N-(tert-Butyloxycarbonyl)-4-piperidone
  • N-BOC-4-piperidone
  • 1-(tert-Butoxycarbonyl)-4-piperidone
  • 1-BOC-4-piperidone
  • 4-Keto-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-oxo-1-piperidinecarboxylate
  • tert-Butyl 4-oxo-1-piperidinecarboxylate
  • 4-Oxopiperidine-1-carboxylic acid tert-butyl ester
  • 4-Oxo-N-Boc-piperidine
  • 1-(tert-Butyloxycarbonyl)-4-piperidone
  • 4-Oxo-1-(tert-butoxycarbonyl)piperidine
  • 1-(tert-Butoxycarbonyl)-4-oxopiperidine
  • N-(tert-Butoxycarbonyl)-4-piperidone
  • 1-(tert-Butyloxycarbonyl)-4-piperidinone
  • 4-Oxo-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
  • N-(tert-Butyloxycarbonyl)piperidin-4-one
  • N-Boc-piperidin-4-one
  • N-Boc-4-oxopiperidine
  • 1-Boc-4-oxopiperidine
  • 1-Boc-piperidin-4-one
  • 4-Oxopiperidin-1-carboxylic acid tert-butyl ester
  • N-Boc-piperidine-4-one
  • tert-Butyl tert-butyl 4-oxopiperidine-1-carboxylate

Work with tert-Butyl 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

N-Boc-hexahydro-1H-azepin-4-one188975-88-487 % similar 3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-780 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-473 % similar 1-Boc-4-methylenepiperidine159635-49-171 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-969 % similar 3-Oxo-azetidine-1-carboxylic acid tert-butyl ester398489-26-467 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-867 % similar tert-Butyl 3-methylidenepyrrolidine-1-carboxylate114214-71-065 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl (R)-3-formylpyrrolidine-1-carboxylate191347-94-1 (S)-tert-Butyl 3-formylpyrrolidine-1-carboxylate191348-04-6 (+-)-1-(tert-Butoxycarbonyl)pyrrolidine-3-carboxaldehyde59379-02-1 1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate69610-41-9 N-(tert-Butoxycarbonyl)-D-prolinal73365-02-3 tert-Butyl 2-oxopiperidine-1-carboxylate85908-96-9 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-9 1-Boc-3-piperidone98977-36-7

Elsewhere

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