(2S)-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ium-1-ylacetamide
Formula:C20H23N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ium-1-ylacetamide is a drug-like molecule.
| MolName | (2S)-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ium-1-ylacetamide |
| MolecularFormula | C20H23N3OF |
| Smiles | O=C([C@H](c1ccccc1)[NH+]1CCCCC1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C20H22FN3O/c21-18-11-9-16(10-12-18)15-22-23-20(25)19(17-7-3-1-4-8-17)24-13-5-2-6-14-24/h1,3-4,7-12,15,19H,2,5-6,13-14H2,(H,23,25)/p+1/t19-/m0/s1 |
| InChIK | YTOQJEPIPZIRAY-IBGZPJMESA-O |
| TotalMolweight | 340.421 |
| Molweight | 340.421 |
| MonoisotopicMass | 340.182515 |
| CLogP | 1.4739 |
| CLogS | -4.038 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 285.48 |
| Relative PSA | 0.18775 |
| PolarSurfaceArea | 45.9 |
| Druglikeness | 0.42542 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (2S)-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ium-1-ylacetamide | 2 - (2S)-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ium-1-ylacetamide
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