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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

1-Boc-4-(hydroxymethyl)-4-methyl-piperidine236406-21-670 % similar tert-Butyl 4-aminomethyl-4-fluoropiperidine-1-carboxylate620611-27-069 % similar tert-Butyl 4,4-difluoropiperidine-1-carboxylate281652-10-665 % similar 1-Boc-4-fluoro-4-piperidinecarboxylic acid614731-04-360 % similar N-Boc-diethanolamine103898-11-959 % similar 1-Boc-4-methyl-piperidin-4-OL406235-30-159 % similar 1-Boc-4-methylpiperidine-4-carboxylic acid189321-63-959 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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