trans-tert-Butyl 4-fluoro-3-hydroxypiperidine-1-carboxylate

C10H18FNO3CAS 955028-82-7219.26 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, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
955028-82-7
SMILES
CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)O)F
InChIKey
FZAKOAFETOZBLC-YUMQZZPRSA-N
InChI
InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8-/m0/s1

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Names and synonyms

1 name
  • trans-1-Boc-4-fluoro-3-hydroxypiperidine

Work with trans-tert-Butyl 4-fluoro-3-hydroxypiperidine-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

Rel-1,1-Dimethylethyl (3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinecarboxylate869481-93-677 % similar (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-666 % similar cis-tert-Butyl 4-amino-3-fluoropiperidine-1-carboxylate577691-56-664 % similar rac-tert-Butyl (3R,4R)-4-amino-3-fluoropiperidine-1-carboxylate907544-16-564 % similar tert-Butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate907544-20-164 % similar 1-Boc-3-fluoro-4-aminopiperidine934536-10-464 % similar (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-563 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-963 % 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 1,1-Dimethylethyl (3R,4S)-3-fluoro-4-hydroxy-1-piperidinecarboxylate1174020-42-8

Elsewhere

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