3-piperidin-1-ylpropyl 4-amino-2-hydroxybenzoate
Formula:C15H22N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-piperidin-1-ylpropyl 4-amino-2-hydroxybenzoate is a drug-like molecule.
| MolName | 3-piperidin-1-ylpropyl 4-amino-2-hydroxybenzoate |
| MolecularFormula | C15H22N2O3 |
| Smiles | Nc(cc1)cc(O)c1C(OCCCN1CCCCC1)=O |
| InChI | InChI=1S/C15H22N2O3/c16-12-5-6-13(14(18)11-12)15(19)20-10-4-9-17-7-2-1-3-8-17/h5-6,11,18H,1-4,7-10,16H2 |
| InChIK | IEZGOQOQLXAHAE-UHFFFAOYSA-N |
| TotalMolweight | 278.351 |
| Molweight | 278.351 |
| MonoisotopicMass | 278.163043 |
| CLogP | 1.8368 |
| CLogS | -2.186 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 222.76 |
| Relative PSA | 0.24672 |
| PolarSurfaceArea | 75.79 |
| Druglikeness | 0.945 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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