(Z)-N-(4-benzylpiperazin-1-yl)-1-pyridin-3-ylmethanimine
Formula:C17H20N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzylpiperazin-1-yl)-1-pyridin-3-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzylpiperazin-1-yl)-1-pyridin-3-ylmethanimine |
| MolecularFormula | C17H20N4 |
| Smiles | C(c1ccccc1)N(CC1)CCN1/N=C\c1cccnc1 |
| InChI | InChI=1S/C17H20N4/c1-2-5-16(6-3-1)15-20-9-11-21(12-10-20)19-14-17-7-4-8-18-13-17/h1-8,13-14H,9-12,15H2 |
| InChIK | BVUDSACVRDVVNU-UHFFFAOYSA-N |
| TotalMolweight | 280.374 |
| Molweight | 280.374 |
| MonoisotopicMass | 280.168796 |
| CLogP | 2.0181 |
| CLogS | -1.861 |
| H Acceptors | 4 |
| TotalSurfaceArea | 232.44 |
| Relative PSA | 0.12726 |
| PolarSurfaceArea | 31.73 |
| Druglikeness | 7.1964 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-(4-benzylpiperazin-1-yl)-1-pyridin-3-ylmethanimine | 2 - (Z)-N-(4-benzylpiperazin-1-yl)-1-pyridin-3-ylmethanimine
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