tert-Butyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate

C14H23NO4CAS 135716-08-4269.34 g/mol

Open in Covalent MOL file
OONOO
AlkeneCarbamateEster

Properties

Molecular formula
C14H23NO4
Molar mass
269.34 g/mol
Exact mass
269.1627 Da
logP
2.51Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
135716-08-4
SMILES
CCOC(=O)C=C1CCN(CC1)C(=O)OC(C)(C)C
InChIKey
NJORMFNJZLXLCN-UHFFFAOYSA-N
InChI
InChI=1S/C14H23NO4/c1-5-18-12(16)10-11-6-8-15(9-7-11)13(17)19-14(2,3)4/h10H,5-9H2,1-4H3

Weigh it out

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Work with tert-Butyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate

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

3-Ethoxycarbonylmethylene-azetidine-1-carboxylic acid tert-butyl ester1002355-96-576 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-354 % similar 1-tert-Butyl 4-ethyl piperidine-1,4-dicarboxylate142851-03-453 % similar Ethyl N-boc-4-methylpiperidine-4-carboxylate189442-87-353 % similar 1-tert-Butyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate141642-82-253 % similar 1-Boc-4-methylenepiperidine159635-49-152 % similar Ethyl cyclohexylideneacetate1552-92-751 % similar Ethyl 1-[(1,1-dimethylethoxy)carbonyl]-4-piperidineacetate135716-09-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl (4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate125971-94-0 7-(1,1-Dimethylethyl) 7-azaspiro[3.5]nonane-2,7-dicarboxylate873924-12-0

Elsewhere

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