3-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]pyridine
Formula:C18H20N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]pyridine is a drug-like molecule.
| MolName | 3-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]pyridine |
| MolecularFormula | C18H20N2 |
| Smiles | C(CC1)CCN1/C(/c1ccccc1)=C\c1cccnc1 |
| InChI | InChI=1S/C18H20N2/c1-3-9-17(10-4-1)18(20-12-5-2-6-13-20)14-16-8-7-11-19-15-16/h1,3-4,7-11,14-15H,2,5-6,12-13H2 |
| InChIK | LYNVQOYTOOCLLF-UHFFFAOYSA-N |
| TotalMolweight | 264.371 |
| Molweight | 264.371 |
| MonoisotopicMass | 264.162648 |
| CLogP | 3.5138 |
| CLogS | -3.076 |
| H Acceptors | 2 |
| TotalSurfaceArea | 222.09 |
| Relative PSA | 0.065379 |
| PolarSurfaceArea | 16.13 |
| Druglikeness | 1.3598 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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