1-Boc-4-formyl-4-methyl-piperidine

C12H21NO3CAS 189442-92-0227.30 g/mol

Open in Covalent MOL file
NOOO
AldehydeCarbamate

Properties

Molecular formula
C12H21NO3
Molar mass
227.30 g/mol
Exact mass
227.1521 Da
logP
2.22Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
189442-92-0
SMILES
CC1(CCN(CC1)C(=O)OC(C)(C)C)C=O
InChIKey
LMKGOFDRKIAUPZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-5-12(4,9-14)6-8-13/h9H,5-8H2,1-4H3

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Names and synonyms

1 names
  • tert-Butyl 4-formyl-4-methylpiperidine-1-carboxylate

Work with 1-Boc-4-formyl-4-methyl-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 4,4-difluoropiperidine-1-carboxylate281652-10-659 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-959 % similar tert-Butyl 1-oxa-6-azaspiro(2.5)octane-6-carboxylate147804-30-658 % similar 1-Boc-4-methyl-piperidin-4-OL406235-30-158 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-857 % similar 1-tert-Butoxycarbonyl-4-piperidinecarboxaldehyde137076-22-356 % similar tert-Butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate203661-69-256 % similar 1-Boc-4-(hydroxymethyl)-4-methyl-piperidine236406-21-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 2-oxa-6-azaspiro[3.5]nonane-6-carboxylate1245816-29-8 tert-Butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate143557-91-9 rac-tert-Butyl N-[(1r,4r)-4-formylcyclohexyl]carbamate181308-57-6 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester206989-61-9 7-Boc-2-oxa-7-azaspiro[3.5]nonane240401-27-8 1-(tert-Butoxycarbonyl)-3,3-dimethyl-4-oxopiperidine324769-06-4 tert-Butyl 2,2-dimethyl-4-oxopiperidine-1-carboxylate346593-03-1 tert-Butyl N-methyl-N-(4-oxocyclohexyl)carbamate400899-84-5

Elsewhere

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