chempirical

N-tert-Butoxycarbonyl-4-(4-toluenesulfonyloxymethyl)piperidine

C18H27NO5SCAS 166815-96-9369.48 g/mol

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SOOONOO
CarbamateSulfonate ester

Properties

Molecular formula
C18H27NO5S
Molar mass
369.48 g/mol
Exact mass
369.1610 Da
logP
3.35Crippen estimate
Polar surface area
72.9 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
166815-96-9
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(CC2)C(=O)OC(C)(C)C
InChIKey
DARTVAOOTJKHQW-UHFFFAOYSA-N
InChI
InChI=1S/C18H27NO5S/c1-14-5-7-16(8-6-14)25(21,22)23-13-15-9-11-19(12-10-15)17(20)24-18(2,3)4/h5-8,15H,9-13H2,1-4H3

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Names and synonyms

1 names
  • 1-(tert-Butoxycarbonyl)-4-((p-toluenesulfonyloxy)methyl)piperidine

Work with N-tert-Butoxycarbonyl-4-(4-toluenesulfonyloxymethyl)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-(tert-Butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine118811-07-773 % similar 2-(trans-4-((tert-Butoxycarbonyl)amino)cyclohexyl)ethyl 4-methylbenzenesulfonate2093293-77-554 % similar (4S-Trans)-2,2-Dimethyl-4,5-bis[(4-methylphenylsulfonyloxy)methyl]-1,3-dioxolane37002-45-248 % similar (4R,5R)-4,5-Bis[[[(4-methylphenyl)sulfonyl]oxy]methyl]-2,2-dimethyl-[1,3]dioxolane51064-65-448 % similar N-Boc-4-piperidinemethanol123855-51-648 % similar 1-Boc-4-(aminomethyl)piperidine144222-22-048 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S,4R)-4-[[(4-methylphenyl)sulfonyl]oxy]-1,2-pyrrolidinedicarboxylate88043-21-448 % similar 4-(2-Aminoethyl)-1-boc-piperidine146093-46-147 % similar

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

Elsewhere

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