tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate

C₁₁H₁₉NO₃CAS 181269-69-2213.28 g/mol

Open in Covalent MOL file

Carbamate Ketone

Properties

Molecular formula: C₁₁H₁₉NO₃
Molar mass: 213.28 g/mol
Exact mass: 213.1365 Da
logP: 1.83Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

181269-69-2

SMILES

CC1CN(CCC1=O)C(=O)OC(C)(C)C

InChIKey

VWSBNWIPICCWAM-UHFFFAOYSA-N

InChI

InChI=1S/C11H19NO3/c1-8-7-12(6-5-9(8)13)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3

Weigh it out

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Names and synonyms

1 names

1-Boc-3-methyl-piperidin-4-one

Work with tert-Butyl 3-methyl-4-oxopiperidine-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-Bromo-4-oxo-piperidine-1-carboxylic acid tert-butyl ester188869-05-868 % similar tert-Butyl 3-fluoro-4-oxopiperidine-1-carboxylate211108-50-868 % similar tert-Butyl 3-cyano-4-oxopiperidine-1-carboxylate914988-10-663 % similar 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate161491-24-361 % similar 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate98977-34-559 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-355 % similar 1-Boc-4-methylenepiperidine159635-49-154 % similar tert-Butyl 3-methylpiperazine-1-carboxylate120737-59-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate1147557-97-8 1-Boc-piperidine-3-carboxaldehyde118156-93-7 1-tert-Butoxycarbonyl-4-piperidinecarboxaldehyde137076-22-3 tert-Butyl 1-oxa-6-azaspiro(2.5)octane-6-carboxylate147804-30-6 tert-Butyl N-(4-oxocyclohexyl)carbamate179321-49-4 N-Boc-hexahydro-1H-azepin-4-one188975-88-4 tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate190906-92-4 1-Piperidinecarboxylicacid,2-methyl-4-oxo-,1,1-dimethylethylester,(2R)-(9ci)790667-43-5

Elsewhere

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