5-[(2R)-piperidin-2-yl]-2-pyridin-3-ylpyridine
PubChem CID: 101467087
Connections displayed (default: 10).
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| Topological Polar Surface Area | 37.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 256.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 5-[(2R)-piperidin-2-yl]-2-pyridin-3-ylpyridine |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C15H17N3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KYEXTKJOQYPDJJ-CQSZACIVSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -1.435 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.749 |
| Compound Name | 5-[(2R)-piperidin-2-yl]-2-pyridin-3-ylpyridine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 239.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 239.142 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 239.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.667929733333333 |
| Inchi | InChI=1S/C15H17N3/c1-2-9-17-14(5-1)13-6-7-15(18-11-13)12-4-3-8-16-10-12/h3-4,6-8,10-11,14,17H,1-2,5,9H2/t14-/m1/s1 |
| Smiles | C1CCN[C@H](C1)C2=CN=C(C=C2)C3=CN=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Sericea (Plant) Rel Props:Source_db:cmaup_ingredients