Rel-(2R,6S)-2,6-Dimethylpiperidine
Properties
- Molecular formula
- C7H15N
- Molar mass
- 113.20 g/mol
- Exact mass
- 113.1204 Da
- Boiling point
- 127 °C
- logP
- 1.54Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
- Stereocentres
- R, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
766-17-6SMILES
C[C@@H]1CCC[C@H](C)N1InChIKey
SDGKUVSVPIIUCF-KNVOCYPGNA-NInChI
InChI=1/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3/t6-,7+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Piperidine, 2,6-dimethyl-, (2R,6S)-rel-
- 2,6-Lupetidine, cis-
- Piperidine, 2,6-dimethyl-, cis-
- cis-2,6-Dimethylpiperidine
- cis-2,6-Lupetidine
- (2R,6S)-2,6-Dimethylpiperidine
- meso-2,6-Lupetidine
Work with Rel-(2R,6S)-2,6-Dimethylpiperidine
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
Boiling point under vacuumAt any pressure, from its normal boiling point
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.
Similar compounds
(2R)-2-Methylpyrrolidine41720-98-350 % similar
(2S)-2-Methylpyrrolidine59335-84-150 % similar
2-Methylpyrrolidine765-38-850 % similar
2-Methylpiperidine109-05-748 % similar
(S)-(+)-2-Methylpiperidine3197-42-048 % similar
2,6-Dimethylpiperazine108-49-647 % similar
Rel-(2R,6S)-2,6-Dimethylpiperazine21655-48-147 % similar
N-(1-Methylpropyl)-2-butanamine626-23-347 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.