chempirical

1,1-Dimethylethyl (3R,4S)-3-fluoro-4-hydroxy-1-piperidinecarboxylate

C10H18FNO3CAS 1174020-42-8219.26 g/mol

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OONOHF
AlcoholAlkyl halideCarbamate

Properties

Molecular formula
C10H18FNO3
Molar mass
219.26 g/mol
Exact mass
219.1271 Da
logP
1.33Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
1174020-42-8
SMILES
CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](F)C1
InChIKey
XRNLYXKYODGLMI-SFYZADRCSA-N
InChI
InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8+/m1/s1

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Names and synonyms

3 names
  • 1-Piperidinecarboxylic acid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4S)-
  • tert-Butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
  • (-)-tert-Butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate

Work with 1,1-Dimethylethyl (3R,4S)-3-fluoro-4-hydroxy-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

Rel-1,1-dimethylethyl (3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinecarboxylate869481-93-679 % similar (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-569 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-969 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-069 % similar 4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-264 % similar tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-662 % similar (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-061 % similar 1,1-Dimethylethyl (3S,4S)-3-amino-4-fluoro-1-pyrrolidinecarboxylate1009075-43-758 % similar

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

Same formula

tert-Butyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate1174020-40-6

Elsewhere

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