4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]quinoline
Formula:C19H24N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]quinoline is a drug-like molecule.
| MolName | 4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]quinoline |
| MolecularFormula | C19H24N2 |
| Smiles | C=C[C@H]1[C@H](CCCc2ccnc3ccccc23)CCNC1 |
| InChI | InChI=1S/C19H24N2/c1-2-15-14-20-12-10-16(15)6-5-7-17-11-13-21-19-9-4-3-8-18(17)19/h2-4,8-9,11,13,15-16,20H,1,5-7,10,12,14H2/t15-,16-/m1/s1 |
| InChIK | OETRFNJKTXFEHK-HZPDHXFCSA-N |
| TotalMolweight | 280.414 |
| Molweight | 280.414 |
| MonoisotopicMass | 280.193948 |
| CLogP | 4.2187 |
| CLogS | -4.035 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 236.68 |
| Relative PSA | 0.094769 |
| PolarSurfaceArea | 24.92 |
| Druglikeness | -4.445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 9 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - 4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]quinoline | 2 - 4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]quinoline
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