chempirical

N-Boc-cis-2,6-diethyl-4-piperidone

C14H25NO3CAS 1003843-30-8255.36 g/mol

Open in Covalent MOL file
ONOO
CarbamateKetone

Properties

Molecular formula
C14H25NO3
Molar mass
255.36 g/mol
Exact mass
255.1834 Da
logP
3.14Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
1003843-30-8
SMILES
CC[C@H]1CC(=O)C[C@H](N1C(=O)OC(C)(C)C)CC
InChIKey
PRRQDRLRMZGMRO-PHIMTYICSA-N
InChI
InChI=1S/C14H25NO3/c1-6-10-8-12(16)9-11(7-2)15(10)13(17)18-14(3,4)5/h10-11H,6-9H2,1-5H3/t10-,11+

Weigh it out

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

Names and synonyms

1 names
  • (2R,6S)-Rel-tert-Butyl 2,6-diethyl-4-oxopiperidine-1-carboxylate

Work with N-Boc-cis-2,6-diethyl-4-piperidone

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 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-855 % similar 1,1-Dimethylethyl (2R)-2-ethyl-1-piperazinecarboxylate393781-70-953 % similar tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-449 % similar 1,1-Dimethylethyl N-methyl-N-(4-oxocyclohexyl)carbamate400899-84-548 % similar 1,2-Bis(1,1-dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate166410-05-547 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-346 % similar tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate190906-92-445 % similar 1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate84348-37-844 % similar

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

Same formula

7-Boc-7-azaspiro[3.5]nonane-2-methanol1356476-27-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook