2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanol
Formula:C15H24N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanol is a drug-like molecule.
| MolName | 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanol |
| MolecularFormula | C15H24N2O |
| Smiles | OCC[NH+]1CC[NH+](C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C15H22N2O/c18-14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-7,18H,8-14H2/p+2 |
| InChIK | IIOZWXHHYZCCSB-UHFFFAOYSA-P |
| TotalMolweight | 248.369 |
| Molweight | 248.369 |
| MonoisotopicMass | 248.188863 |
| CLogP | -2.6177 |
| CLogS | -1.009 |
| H Acceptors | 3 |
| H Donors | 3 |
| TotalSurfaceArea | 237.61 |
| Relative PSA | 0.20319 |
| PolarSurfaceArea | 29.11 |
| Druglikeness | -2.09 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.77778 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanol | 2 - 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off