L-N-methylammodendrine
PubChem CID: 44583965
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| Compound Synonyms | L-N-methylammodendrine, CHEMBL450823, (S)-1-(5-(1-Methylpiperidin-2-yl)-3,4-dihydropyridin-1(2H)-yl)ethan-1-one |
|---|---|
| Topological Polar Surface Area | 23.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 298.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1-[5-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C13H22N2O |
| Prediction Swissadme | 1.0 |
| Inchi Key | SWGUPFWFYUMIGH-ZDUSSCGKSA-N |
| Fcsp3 | 0.7692307692307693 |
| Logs | -0.323 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.68 |
| Compound Name | L-N-methylammodendrine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 222.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.173 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 222.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5967583999999997 |
| Inchi | InChI=1S/C13H22N2O/c1-11(16)15-9-5-6-12(10-15)13-7-3-4-8-14(13)2/h10,13H,3-9H2,1-2H3/t13-/m0/s1 |
| Smiles | CC(=O)N1CCCC(=C1)[C@@H]2CCCCN2C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lupinus Formosus (Plant) Rel Props:Source_db:npass_chem_all