2-Propylpiperidin-1-ium
PubChem CID: 21583848
Connections displayed (default: 10).
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| Compound Synonyms | d-Conicine |
|---|---|
| Topological Polar Surface Area | 16.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-propylpiperidin-1-ium |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C8H18N+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | NDNUANOUGZGEPO-UHFFFAOYSA-O |
| Fcsp3 | 1.0 |
| Logs | -0.881 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.847 |
| Compound Name | 2-Propylpiperidin-1-ium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.144 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 128.144 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 128.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7378817999999998 |
| Inchi | InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/p+1 |
| Smiles | CCCC1CCCC[NH2+]1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Blumea Lacera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cicuta Virosa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Conium Maculatum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Sarracenia Flava (Plant) Rel Props:Source_db:cmaup_ingredients