N-Benzyloxycarbonyl-4-piperidinesulfonyl chloride

C₁₃H₁₆ClNO₄SCAS 287953-54-2317.78 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₆ClNO₄S
Molar mass: 317.78 g/mol
Exact mass: 317.0489 Da
logP: 2.36Crippen estimate
Polar surface area: 63.7 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

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

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

287953-54-2

SMILES

C1CN(CCC1S(=O)(=O)Cl)C(=O)OCC2=CC=CC=C2

InChIKey

HEGCWAOVTPVFBJ-UHFFFAOYSA-N

InChI

InChI=1S/C13H16ClNO4S/c14-20(17,18)12-6-8-15(9-7-12)13(16)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2

Weigh it out

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

Names and synonyms

1 names

Benzyl 4-(chlorosulfonyl)piperidine-1-carboxylate

Work with N-Benzyloxycarbonyl-4-piperidinesulfonyl chloride

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 ester120278-07-162 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-562 % similar Benzyl 4-(chloroformyl)-1-piperidinecarboxylic acid10314-99-562 % similar 4-Formylpiperidine-1-carboxylic acid benzyl ester138163-08-361 % similar 1-((Benzyloxy)carbonyl)piperidin-4-yl methanesulfonate199103-19-060 % similar Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate122860-33-760 % similar 4-Aminomethyl-1-N-Cbz-piperidine157023-34-260 % similar N-Benzyloxycarbonyl-4-bromomethylpiperidine159275-17-960 % similar

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

Elsewhere

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