[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate
Formula:C28H29NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate is a drug-like molecule.
| MolName | [1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate |
| MolecularFormula | C28H29NO3 |
| Smiles | OC(C(OC1CN(C/C=C/c2ccccc2)CCC1)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C28H29NO3/c30-27(28(31,24-15-6-2-7-16-24)25-17-8-3-9-18-25)32-26-19-11-21-29(22-26)20-10-14-23-12-4-1-5-13-23/h1-10,12-18,26,31H,11,19-22H2/t26-/m0/s1 |
| InChIK | PGZLDLPELYXORR-SANMLTNESA-N |
| TotalMolweight | 427.542 |
| Molweight | 427.542 |
| MonoisotopicMass | 427.214744 |
| CLogP | 4.5333 |
| CLogS | -4.49 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 341.89 |
| Relative PSA | 0.11609 |
| PolarSurfaceArea | 49.77 |
| Druglikeness | 2.8981 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - [1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate | 2 - [1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate
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