(E)-1-phenyl-5-piperidin-1-ylpent-1-en-3-one
Formula:C16H21NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-phenyl-5-piperidin-1-ylpent-1-en-3-one is a drug-like molecule.
| MolName | (E)-1-phenyl-5-piperidin-1-ylpent-1-en-3-one |
| MolecularFormula | C16H21NO |
| Smiles | O=C(CCN1CCCCC1)/C=C/c1ccccc1 |
| InChI | InChI=1S/C16H21NO/c18-16(10-9-15-7-3-1-4-8-15)11-14-17-12-5-2-6-13-17/h1,3-4,7-10H,2,5-6,11-14H2 |
| InChIK | IRIVAOPNLWPYHC-UHFFFAOYSA-N |
| TotalMolweight | 243.349 |
| Molweight | 243.349 |
| MonoisotopicMass | 243.162314 |
| CLogP | 3.0325 |
| CLogS | -2.795 |
| H Acceptors | 2 |
| TotalSurfaceArea | 210.63 |
| Relative PSA | 0.078764 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 2.659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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