(E)-3-phenyl-1-piperazin-1-ylprop-2-en-1-one
Formula:C13H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-1-piperazin-1-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-phenyl-1-piperazin-1-ylprop-2-en-1-one |
| MolecularFormula | C13H16N2O |
| Smiles | O=C(/C=C/c1ccccc1)N1CCNCC1 |
| InChI | InChI=1S/C13H16N2O/c16-13(15-10-8-14-9-11-15)7-6-12-4-2-1-3-5-12/h1-7,14H,8-11H2 |
| InChIK | DLCYXQODDJUHQL-UHFFFAOYSA-N |
| TotalMolweight | 216.283 |
| Molweight | 216.283 |
| MonoisotopicMass | 216.126263 |
| CLogP | 1.5196 |
| CLogS | -1.56 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 180.81 |
| Relative PSA | 0.15514 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | 2.7123 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-phenyl-1-piperazin-1-ylprop-2-en-1-one | 2 - (E)-3-phenyl-1-piperazin-1-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off