Basic information
- Standard SMILES
CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1- InChIKey
MXYUKLILVYORSK-UHFFFAOYSA-N- Molecular formula
- C22H27NO2
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.2041791
Overview
lobeline has been reported in Lobelia inflata, Lobelia siphilitica, and other organisms with data available.
Names & identifiers
- Preferred name
- 2-(6-(2-Hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl)-1-phenylethan-1-one
- IUPAC
- 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone
Names & synonyms
DTXSID608591572-(6-(2-Hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl)-1-phenylethan-1-one2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethan-1-oneRefChem:1061377DTXCID4020024410122-32-4CHEMBL15476alpha-Lobeline;L-LobelineL-LOBELINESMR000151480Lobeline,AlphaLobeline (racemate)
Show more names
Lobeline, (-)Spectrum_000920Spectrum2_001361Spectrum3_000033Spectrum4_000818Spectrum4_001144Spectrum5_001494Oprea1_328362
Database identifiers
- PubChem CID
- 3945
- DTXSID
DTXSID60859157- ChEMBL
CHEMBL15476
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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