[1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]methanol
Formula:C15H21NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]methanol is a drug-like molecule.
| MolName | [1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]methanol |
| MolecularFormula | C15H21NO |
| Smiles | OCC1N(C/C=C/c2ccccc2)CCCC1 |
| InChI | InChI=1S/C15H21NO/c17-13-15-10-4-5-11-16(15)12-6-9-14-7-2-1-3-8-14/h1-3,6-9,15,17H,4-5,10-13H2/t15-/m1/s1 |
| InChIK | PPKHVWPJPUOATP-OAHLLOKOSA-N |
| TotalMolweight | 231.338 |
| Molweight | 231.338 |
| MonoisotopicMass | 231.162314 |
| CLogP | 2.5747 |
| CLogS | -2.474 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 197.97 |
| Relative PSA | 0.084104 |
| PolarSurfaceArea | 23.47 |
| Druglikeness | -2.3069 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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