1-((Benzyloxy)carbonyl)piperidin-4-yl methanesulfonate

C₁₄H₁₉NO₅SCAS 199103-19-0313.37 g/mol

Open in Covalent MOL file

Carbamate Sulfonate ester

Properties

Molecular formula: C₁₄H₁₉NO₅S
Molar mass: 313.37 g/mol
Exact mass: 313.0984 Da
logP: 1.76Crippen estimate
Polar surface area: 72.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

Identifiers

CAS number

199103-19-0

SMILES

CS(=O)(=O)OC1CCN(CC1)C(=O)OCC2=CC=CC=C2

InChIKey

AMBWIRHJLQDRCN-UHFFFAOYSA-N

InChI

InChI=1S/C14H19NO5S/c1-21(17,18)20-13-7-9-15(10-8-13)14(16)19-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3

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Names and synonyms

1 names

Benzyl 4-((methanesulfonyl)oxy)piperidine-1-carboxylate

Work with 1-((Benzyloxy)carbonyl)piperidin-4-yl methanesulfonate

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

4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-160 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-560 % similar 4-Formylpiperidine-1-carboxylic acid benzyl ester138163-08-358 % similar Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate122860-33-757 % similar 1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-456 % similar Benzyl 4-(chloroformyl)-1-piperidinecarboxylic acid10314-99-556 % similar Benzyl (5r)-5-methyl-1,4-diazepane-1-carboxylate1001401-60-056 % similar 4-[(Methylsulfonyl)oxy]piperidine-1-carboxylic acid tert-butyl ester141699-59-455 % similar

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

Same formula

Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, methyl ester, (1R,2S)-, 4-methylbenzenesulfonate (1:1)862273-27-6

Elsewhere

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