4-[(Methylsulfonyl)oxy]piperidine-1-carboxylic acid tert-butyl ester

C11H21NO5SCAS 141699-59-4279.35 g/mol

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CarbamateSulfonate ester

Properties

Molecular formula
C11H21NO5S
Molar mass
279.35 g/mol
Exact mass
279.1140 Da
Melting point
193–195 °C
logP
1.36Crippen estimate
Polar surface area
72.9 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
141699-59-4
SMILES
CC(C)(C)OC(=O)N1CCC(OS(C)(=O)=O)CC1
InChIKey
WOEQSXAIPTXOPY-UHFFFAOYSA-N
InChI
InChI=1S/C11H21NO5S/c1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15/h9H,5-8H2,1-4H3

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Names and synonyms

11 names
  • 1-Piperidinecarboxylic acid, 4-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester
  • 1-(tert-Butoxycarbonyl)-4-piperidinyl methanesulfonate
  • tert-Butyl 4-methylsulfonyloxy-1-piperidinecarboxylate
  • 1-tert-Butoxycarbonyl-4-methylsulfonyloxypiperidine
  • 1-(tert-Butoxycarbonyl)-4-methanesulfonyloxypiperidine
  • 1,1-Dimethylethyl 4-[(methylsulfonyl)oxy]-1-piperidinecarboxylate
  • tert-Butyl 4-(methanesulfonyloxy)piperidine-1-carboxylate
  • 1-Boc-4-(methylsulfonyloxy)piperidine
  • tert-Butyl 4-(methylsulfonyloxy)piperidin-1-carboxylate
  • 4-Methanesulfonyloxy-piperidine-1-carboxylic acid tert-butyl ester
  • 1-(tert-Butoxycarbonyl)-4-(methanesulfonyloxy)piperidine

Work with 4-[(Methylsulfonyl)oxy]piperidine-1-carboxylic acid tert-butyl ester

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-(tert-Butoxycarbonyl)-3-(methanesulfonyloxy)azetidine141699-58-374 % similar 1-(tert-Butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine118811-07-758 % similar 1,1-Dimethylethyl 4-(chlorosulfonyl)-1-piperidinecarboxylate782501-25-157 % similar tert-Butyl 4-hydroxypiperidine-1-carboxylate109384-19-256 % similar 4-Chloro-piperidine-1-carboxylic acid tert-butyl ester154874-94-956 % similar tert-Butyl 4-bromopiperidine-1-carboxylate180695-79-856 % similar tert-Butyl 4-iodopiperidine-1-carboxylate301673-14-356 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sulfobetaine methacrylate3637-26-1

Elsewhere

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