1-(2-phenylethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
Formula:C21H26N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(2-phenylethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine is a drug-like molecule.
| MolName | 1-(2-phenylethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine |
| MolecularFormula | C21H26N2 |
| Smiles | C(CN1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 |
| InChI | InChI=1S/C21H26N2/c1-3-8-20(9-4-1)12-7-14-22-16-18-23(19-17-22)15-13-21-10-5-2-6-11-21/h1-12H,13-19H2 |
| InChIK | KQTQRXCHAVUXGV-UHFFFAOYSA-N |
| TotalMolweight | 306.451 |
| Molweight | 306.451 |
| MonoisotopicMass | 306.209598 |
| CLogP | 3.9703 |
| CLogS | -2.651 |
| H Acceptors | 2 |
| TotalSurfaceArea | 262.94 |
| Relative PSA | 0.027002 |
| PolarSurfaceArea | 6.48 |
| Druglikeness | 8.0993 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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