chempirical

1,1-Dimethylethyl 4-fluoro-4-(hydroxymethyl)-1-piperidinecarboxylate

C11H20FNO3CAS 614730-97-1233.28 g/mol

Open in Covalent MOL file
OONFOH
AlcoholAlkyl halideCarbamate

Properties

Molecular formula
C11H20FNO3
Molar mass
233.28 g/mol
Exact mass
233.1427 Da
logP
1.72Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
614730-97-1
SMILES
CC(C)(C)OC(=O)N1CCC(F)(CO)CC1
InChIKey
BWZOULIMVKCGII-UHFFFAOYSA-N
InChI
InChI=1S/C11H20FNO3/c1-10(2,3)16-9(15)13-6-4-11(12,8-14)5-7-13/h14H,4-8H2,1-3H3

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Names and synonyms

4 names
  • 1-Piperidinecarboxylic acid, 4-fluoro-4-(hydroxymethyl)-, 1,1-dimethylethyl ester
  • 4-Fluoro-4-(hydroxymethyl)piperidine-1-carboxylic acid tert-butyl ester
  • tert-Butyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
  • 1-Boc-4-Fluoro-4-(hydroxymethyl)piperidine

Work with 1,1-Dimethylethyl 4-fluoro-4-(hydroxymethyl)-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

N-Boc-diethanolamine103898-11-959 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-456 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-956 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-355 % similar 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-855 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-854 % similar 2-(4-Amino-1-(tert-butoxycarbonyl)piperidin-4-YL)acetic acid1159983-30-853 % similar 7-(1,1-Dimethylethyl) 7-azaspiro[3.5]nonane-2,7-dicarboxylate873924-12-053 % similar

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

Elsewhere

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