2-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]quinoline
Formula:C23H24N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]quinoline is a drug-like molecule.
| MolName | 2-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]quinoline |
| MolecularFormula | C23H24N2 |
| Smiles | C(c1ccc(/C=C/c2nc3ccccc3cc2)cc1)N1CCCCC1 |
| InChI | InChI=1S/C23H24N2/c1-4-16-25(17-5-1)18-20-10-8-19(9-11-20)12-14-22-15-13-21-6-2-3-7-23(21)24-22/h2-3,6-15H,1,4-5,16-18H2 |
| InChIK | RVHPZGYPKSZHCM-UHFFFAOYSA-N |
| TotalMolweight | 328.458 |
| Molweight | 328.458 |
| MonoisotopicMass | 328.193948 |
| CLogP | 4.9925 |
| CLogS | -4.952 |
| H Acceptors | 2 |
| TotalSurfaceArea | 272.24 |
| Relative PSA | 0.053335 |
| PolarSurfaceArea | 16.13 |
| Druglikeness | 1.3507 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]quinoline | 2 - 2-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]quinoline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off