(1-hydroxy-4-piperidin-1-ylcyclohexyl) benzoate
Formula:C18H25NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1-hydroxy-4-piperidin-1-ylcyclohexyl) benzoate is a drug-like molecule.
| MolName | (1-hydroxy-4-piperidin-1-ylcyclohexyl) benzoate |
| MolecularFormula | C18H25NO3 |
| Smiles | OC(CC1)(CCC1N1CCCCC1)OC(c1ccccc1)=O |
| InChI | InChI=1S/C18H25NO3/c20-17(15-7-3-1-4-8-15)22-18(21)11-9-16(10-12-18)19-13-5-2-6-14-19/h1,3-4,7-8,16,21H,2,5-6,9-14H2 |
| InChIK | VTEGSLSCSPIKAA-UHFFFAOYSA-N |
| TotalMolweight | 303.4 |
| Molweight | 303.4 |
| MonoisotopicMass | 303.183444 |
| CLogP | 3.2185 |
| CLogS | -3.201 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.41 |
| Relative PSA | 0.16718 |
| PolarSurfaceArea | 49.77 |
| Druglikeness | 1.6033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 14 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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