1-(tert-Butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine

C₁₇H₂₅NO₅SCAS 118811-07-7355.45 g/mol

Open in Covalent MOL file

Carbamate Sulfonate ester

Properties

Molecular formula: C₁₇H₂₅NO₅S
Molar mass: 355.45 g/mol
Exact mass: 355.1453 Da
logP: 3.10Crippen estimate
Polar surface area: 72.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

118811-07-7

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCN(CC2)C(=O)OC(C)(C)C

InChIKey

IKOMRHLHPZAEMV-UHFFFAOYSA-N

InChI

InChI=1S/C17H25NO5S/c1-13-5-7-15(8-6-13)24(20,21)23-14-9-11-18(12-10-14)16(19)22-17(2,3)4/h5-8,14H,9-12H2,1-4H3

Weigh it out

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

Names and synonyms

1 names

4-(Toluene-4-sulfonyloxy)-piperidine-1-carboxylic acid tert-butyl ester

Work with 1-(tert-Butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine

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-tert-Butoxycarbonyl-4-(4-toluenesulfonyloxymethyl)piperidine166815-96-973 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S,4R)-4-[[(4-methylphenyl)sulfonyl]oxy]-1,2-pyrrolidinedicarboxylate88043-21-459 % similar 4-[(Methylsulfonyl)oxy]piperidine-1-carboxylic acid tert-butyl ester141699-59-458 % similar Oxetan-3-yl 4-methylbenzene-1-sulfonate26272-83-349 % similar tert-Butyl tosyloxycarbamate105838-14-048 % similar (R)-3-(P-Toluenesulfonyl) oxytetrahydrofuran219823-47-948 % similar 1,1-Dimethylethyl 4-(chlorosulfonyl)-1-piperidinecarboxylate782501-25-147 % similar 1-N-Boc-4-(phenylamino)piperidine125541-22-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook