chempirical

1,1-Dimethylethyl 3-fluoro-4-oxo-1-piperidinecarboxylate

C10H16FNO3CAS 211108-50-8217.24 g/mol

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OONOF
Alkyl halideCarbamateKetone

Properties

Molecular formula
C10H16FNO3
Molar mass
217.24 g/mol
Exact mass
217.1114 Da
logP
1.53Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
211108-50-8
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C(F)C1
InChIKey
JZNWQLLPLOQGOI-UHFFFAOYSA-N
InChI
InChI=1S/C10H16FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7H,4-6H2,1-3H3

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Names and synonyms

3 names
  • 1-Piperidinecarboxylic acid, 3-fluoro-4-oxo-, 1,1-dimethylethyl ester
  • tert-Butyl 3-fluoro-4-oxo-1-piperidinecarboxylate
  • 3-Fluoro-4-oxopiperidine-1-carboxylic acid tert-butyl ester

Work with 1,1-Dimethylethyl 3-fluoro-4-oxo-1-piperidinecarboxylate

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-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate98977-34-557 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-354 % similar tert-Butyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate1174020-40-653 % similar 1,1-Dimethylethyl (3R,4S)-3-fluoro-4-hydroxy-1-piperidinecarboxylate1174020-42-853 % similar tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-652 % similar 3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-751 % similar (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-551 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-951 % similar

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

Elsewhere

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