(E)-3-phenyl-1-[3-(trifluoromethyl)piperidin-1-yl]prop-2-en-1-one
Formula:C15H16NOF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-1-[3-(trifluoromethyl)piperidin-1-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-phenyl-1-[3-(trifluoromethyl)piperidin-1-yl]prop-2-en-1-one |
| MolecularFormula | C15H16NOF3 |
| Smiles | O=C(/C=C/c1ccccc1)N(CCC1)CC1C(F)(F)F |
| InChI | InChI=1S/C15H16F3NO/c16-15(17,18)13-7-4-10-19(11-13)14(20)9-8-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2/t13-/m0/s1 |
| InChIK | KGACJAACYQJDGL-ZDUSSCGKSA-N |
| TotalMolweight | 283.292 |
| Molweight | 283.292 |
| MonoisotopicMass | 283.118398 |
| CLogP | 3.5807 |
| CLogS | -3.485 |
| H Acceptors | 2 |
| TotalSurfaceArea | 211.31 |
| Relative PSA | 0.07851 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | -5.0621 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-3-phenyl-1-[3-(trifluoromethyl)piperidin-1-yl]prop-2-en-1-one | 2 - (E)-3-phenyl-1-[3-(trifluoromethyl)piperidin-1-yl]prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off