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

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

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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

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 tert-Butyl tosyloxycarbamate105838-14-048 % similar 1,1-Dimethylethyl 4-(chlorosulfonyl)-1-piperidinecarboxylate782501-25-147 % similar 1-N-Boc-4-(phenylamino)piperidine125541-22-246 % similar 4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-246 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-746 % similar Imidodicarbonic acid, 2-[5-bromo-3-[[(4-methylphenyl)sulfonyl]oxy]-2-pyridinyl]-, 1,3-bis(1,1-dimethylethyl) ester1803573-21-845 % similar

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

Elsewhere

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