[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C26H32N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is a drug-like molecule.
| MolName | [1-[(4-fluorophenyl)methyl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C26H32N3OF |
| Smiles | O=C(C1CCN(Cc(cc2)ccc2F)CC1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C26H32FN3O/c27-25-10-8-23(9-11-25)21-29-15-12-24(13-16-29)26(31)30-19-17-28(18-20-30)14-4-7-22-5-2-1-3-6-22/h1-11,24H,12-21H2 |
| InChIK | KHQBLGXKDHEXLY-UHFFFAOYSA-N |
| TotalMolweight | 421.558 |
| Molweight | 421.558 |
| MonoisotopicMass | 421.25294 |
| CLogP | 3.9872 |
| CLogS | -3.074 |
| H Acceptors | 4 |
| TotalSurfaceArea | 337.62 |
| Relative PSA | 0.070168 |
| PolarSurfaceArea | 26.79 |
| Druglikeness | 9.5206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 13 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - [1-[(4-fluorophenyl)methyl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone | 2 - [1-[(4-fluorophenyl)methyl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
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