chempirical

1-Piperidinecarboxylicacid,2-methyl-4-oxo-,1,1-dimethylethylester,(2R)-(9ci)

C11H19NO3CAS 790667-43-5213.28 g/mol

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ONOO
CarbamateKetone

Properties

Molecular formula
C11H19NO3
Molar mass
213.28 g/mol
Exact mass
213.1365 Da
logP
1.97Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
790667-43-5
SMILES
C[C@@H]1CC(=O)CCN1C(=O)OC(C)(C)C
InChIKey
HQMYWQCBINPHBB-MRVPVSSYSA-N
InChI
InChI=1S/C11H19NO3/c1-8-7-9(13)5-6-12(8)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1

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Names and synonyms

1 names
  • tert-Butyl (2R)-2-methyl-4-oxopiperidine-1-carboxylate

Work with 1-Piperidinecarboxylicacid,2-methyl-4-oxo-,1,1-dimethylethylester,(2R)-(9ci)

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate190906-92-4Stereo not defined

Similar compounds

1-tert-Butyl 2-methyl 4-oxopiperidine-1,2-dicarboxylate81357-18-861 % similar 1-Boc-2-phenyl-piperidin-4-one849928-30-959 % similar tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-257 % similar 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate169447-70-557 % similar (R)-1-N-Boc-2-methylpiperazine170033-47-357 % similar 1-Boc-2-benzyl-piperidin-4-one193480-28-356 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-355 % similar 3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-753 % 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 tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate181269-69-2 N-Boc-hexahydro-1H-azepin-4-one188975-88-4

Elsewhere

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