chempirical

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

C11H19NO3CAS 181269-69-2213.28 g/mol

Open in Covalent MOL file
NOOO
CarbamateKetone

Properties

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

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

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

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 1,1-Dimethylethyl 3-fluoro-4-oxo-1-piperidinecarboxylate211108-50-868 % 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 (S)-4-N-Boc-2-methylpiperazine147081-29-653 % 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 1,1-Dimethylethyl N-(3-oxocyclohexyl)carbamate885280-38-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook