2-piperidin-2-yl-3,4-dihydro-2H-naphthalen-1-one
Formula:C15H19NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-piperidin-2-yl-3,4-dihydro-2H-naphthalen-1-one is a drug-like molecule.
| MolName | 2-piperidin-2-yl-3,4-dihydro-2H-naphthalen-1-one |
| MolecularFormula | C15H19NO |
| Smiles | O=C(C(CC1)C2NCCCC2)c2c1cccc2 |
| InChI | InChI=1S/C15H19NO/c17-15-12-6-2-1-5-11(12)8-9-13(15)14-7-3-4-10-16-14/h1-2,5-6,13-14,16H,3-4,7-10H2 |
| InChIK | ZLDAECGHROMCFJ-UHFFFAOYSA-N |
| TotalMolweight | 229.322 |
| Molweight | 229.322 |
| MonoisotopicMass | 229.146664 |
| CLogP | 2.6269 |
| CLogS | -3.568 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 183.03 |
| Relative PSA | 0.13386 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 0.021402 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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1 - 2-piperidin-2-yl-3,4-dihydro-2H-naphthalen-1-one | 2 - 2-piperidin-2-yl-3,4-dihydro-2H-naphthalen-1-one
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