chempirical

1-tert-Butoxycarbonyl-4-acetylpiperidine

C12H21NO3CAS 206989-61-9227.30 g/mol

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ONOO
CarbamateKetone

Properties

Molecular formula
C12H21NO3
Molar mass
227.30 g/mol
Exact mass
227.1521 Da
logP
2.22Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
206989-61-9
SMILES
CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIKey
HNVBBNZWMSTMAZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H21NO3/c1-9(14)10-5-7-13(8-6-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3

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Names and synonyms

8 names
  • 1-Piperidinecarboxylic acid, 4-acetyl-, 1,1-dimethylethyl ester
  • 4-Acetyl-1-(tert-butoxycarbonyl)piperidine
  • N-tert-Butoxycarbonyl-4-acetylpiperidine
  • tert-Butyl 4-acetyl-1-piperidinecarboxylate
  • 4-Acetylpiperidine-1-carboxylic acid tert-butyl ester
  • 1,1-Dimethylethyl 4-acetyl-1-piperidinecarboxylate
  • 1-[1-(tert-Butoxycarbonyl)piperidin-4-yl]ethanone
  • 1-Boc-4-acetylpiperidine

Work with 1-tert-Butoxycarbonyl-4-acetylpiperidine

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

1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-971 % similar 1-(1,1-Dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate124443-68-164 % similar 4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-262 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-762 % similar N-Boc-4-piperidinemethanol123855-51-659 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-959 % similar tert-Butyl 3-carbamoylpyrrolidine-1-carboxylate122684-34-859 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-pyrrolidinedicarboxylate72925-16-759 % 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 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-8 1,1-Dimethylethyl N-methyl-N-(4-oxocyclohexyl)carbamate400899-84-5

Elsewhere

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