3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
Formula:C12H15N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine is a drug-like molecule.
| MolName | 3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine |
| MolecularFormula | C12H15N3 |
| Smiles | C(CNCC1)C1c1c[nH]c2ncccc12 |
| InChI | InChI=1S/C12H15N3/c1-2-10-11(8-15-12(10)14-5-1)9-3-6-13-7-4-9/h1-2,5,8-9,13H,3-4,6-7H2,(H,14,15) |
| InChIK | OUNKWLVIJBPPIF-UHFFFAOYSA-N |
| TotalMolweight | 201.272 |
| Molweight | 201.272 |
| MonoisotopicMass | 201.126597 |
| CLogP | 1.8103 |
| CLogS | -2.933 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 161.69 |
| Relative PSA | 0.22525 |
| PolarSurfaceArea | 40.71 |
| Druglikeness | 0.69439 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine | 2 - 3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
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