[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl (E)-3-phenylprop-2-enoate
Formula:C22H24NO2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | [1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl (E)-3-phenylprop-2-enoate |
| MolecularFormula | C22H24NO2F |
| Smiles | O=C(/C=C/c1ccccc1)OCC1CN(Cc2cccc(F)c2)CCC1 |
| InChI | InChI=1S/C22H24FNO2/c23-21-10-4-8-19(14-21)15-24-13-5-9-20(16-24)17-26-22(25)12-11-18-6-2-1-3-7-18/h1-4,6-8,10-12,14,20H,5,9,13,15-17H2/t20-/m0/s1 |
| InChIK | YQWCWOYQKNPYTC-FQEVSTJZSA-N |
| TotalMolweight | 353.436 |
| Molweight | 353.436 |
| MonoisotopicMass | 353.179107 |
| CLogP | 4.1165 |
| CLogS | -4.003 |
| H Acceptors | 3 |
| TotalSurfaceArea | 285.48 |
| Relative PSA | 0.093141 |
| PolarSurfaceArea | 29.54 |
| Druglikeness | -1.4402 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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