3-Piperidin-1-ium-2-ylpyridine
PubChem CID: 4988232
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| Compound Synonyms | 3-piperidin-1-ium-2-ylpyridine, 2-(pyridin-3-yl)piperidinium, STL589676 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-piperidin-1-ium-2-ylpyridine |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C10H15N2+ |
| Prediction Swissadme | 1.0 |
| Inchi Key | MTXSIJUGVMTTMU-UHFFFAOYSA-O |
| Fcsp3 | 0.5 |
| Logs | 0.344 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.949 |
| Compound Name | 3-Piperidin-1-ium-2-ylpyridine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 163.124 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 163.124 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 163.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8806127999999998 |
| Inchi | InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2/p+1 |
| Smiles | C1CC[NH2+]C(C1)C2=CN=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alangium Kurzii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Alangium Platanifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Anabasis Aphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Nicotiana Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Source_db:cmaup_ingredients