N-Boc-3-methylene-piperidine

C₁₁H₁₉NO₂CAS 276872-89-0197.28 g/mol

Open in Covalent MOL file

Alkene Carbamate

Properties

Molecular formula: C₁₁H₁₉NO₂
Molar mass: 197.28 g/mol
Exact mass: 197.1416 Da
logP: 2.57Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302+H332 Harmful if swallowed or if inhaled50% of notifiers
H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

276872-89-0

SMILES

CC(C)(C)OC(=O)N1CCCC(=C)C1

InChIKey

CENNZHRFKNCIBU-UHFFFAOYSA-N

InChI

InChI=1S/C11H19NO2/c1-9-6-5-7-12(8-9)10(13)14-11(2,3)4/h1,5-8H2,2-4H3

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

Names and synonyms

1 names

3-Methylene-piperidine-1-carboxylic acid tert-butyl ester

Work with N-Boc-3-methylene-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

tert-Butyl 3-methylidenepyrrolidine-1-carboxylate114214-71-082 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-967 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-865 % similar N-Boc-hexahydro-1H-azepin-4-one188975-88-463 % similar 3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-758 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-357 % similar tert-Butyl 1,4-diazepane-1-carboxylate112275-50-055 % similar 1-Boc-3-oxopiperazine76003-29-754 % similar

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

Same formula

(4S)-4-Cyclohexyl-L-proline103201-78-1 2-Ethylhexyl cyanoacetate13361-34-7 1-Boc-4-methylenepiperidine159635-49-1 1-Methylheptyl 2-cyanoacetate52688-08-1

Elsewhere

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