(E)-1-phenyl-3-piperidin-1-ylprop-2-en-1-one
Formula:C14H17NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-phenyl-3-piperidin-1-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-phenyl-3-piperidin-1-ylprop-2-en-1-one |
| MolecularFormula | C14H17NO |
| Smiles | O=C(/C=C/N1CCCCC1)c1ccccc1 |
| InChI | InChI=1S/C14H17NO/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15/h1,3-4,7-9,12H,2,5-6,10-11H2 |
| InChIK | JUKQCVUTWXGONX-UHFFFAOYSA-N |
| TotalMolweight | 215.295 |
| Molweight | 215.295 |
| MonoisotopicMass | 215.131014 |
| CLogP | 2.1653 |
| CLogS | -2.873 |
| H Acceptors | 2 |
| TotalSurfaceArea | 183.11 |
| Relative PSA | 0.090601 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 1.3364 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-phenyl-3-piperidin-1-ylprop-2-en-1-one | 2 - (E)-1-phenyl-3-piperidin-1-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off