2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-2-phenylethenyl]piperazin-1-yl]ethanone
Formula:C25H31N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-2-phenylethenyl]piperazin-1-yl]ethanone is a drug-like molecule.
| MolName | 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-2-phenylethenyl]piperazin-1-yl]ethanone |
| MolecularFormula | C25H31N3O2 |
| Smiles | OC1(CCN(CC(N(CC2)CCN2/C=C/c2ccccc2)=O)CC1)c1ccccc1 |
| InChI | InChI=1S/C25H31N3O2/c29-24(21-27-15-12-25(30,13-16-27)23-9-5-2-6-10-23)28-19-17-26(18-20-28)14-11-22-7-3-1-4-8-22/h1-11,14,30H,12-13,15-21H2 |
| InChIK | IFNOUGMPJJULLQ-UHFFFAOYSA-N |
| TotalMolweight | 405.54 |
| Molweight | 405.54 |
| MonoisotopicMass | 405.241627 |
| CLogP | 2.8887 |
| CLogS | -2.49 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 321.77 |
| Relative PSA | 0.11434 |
| PolarSurfaceArea | 47.02 |
| Druglikeness | 10.982 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 13 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-2-phenylethenyl]piperazin-1-yl]ethanone | 2 - 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-2-phenylethenyl]piperazin-1-yl]ethanone
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off