(2R)-1-methyl-2-propylpiperidin-1-ium
PubChem CID: 25203444
Connections displayed (default: 10).
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| Topological Polar Surface Area | 4.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-1-methyl-2-propylpiperidin-1-ium |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C9H20N+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | CUBHREGSQFAWDJ-SECBINFHSA-O |
| Fcsp3 | 1.0 |
| Logs | -2.457 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.359 |
| Compound Name | (2R)-1-methyl-2-propylpiperidin-1-ium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.16 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 142.16 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 142.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1209492 |
| Inchi | InChI=1S/C9H19N/c1-3-6-9-7-4-5-8-10(9)2/h9H,3-8H2,1-2H3/p+1/t9-/m1/s1 |
| Smiles | CCC[C@@H]1CCCC[NH+]1C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Balanophora Involucrata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Conium Maculatum (Plant) Rel Props:Source_db:cmaup_ingredients