1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-pyridin-2-ylpiperazine
Formula:C22H22N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-pyridin-2-ylpiperazine is a drug-like molecule.
| MolName | 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-pyridin-2-ylpiperazine |
| MolecularFormula | C22H22N3Cl |
| Smiles | Clc1ccc([C@@H](c2ccccc2)N(CC2)CCN2c2ncccc2)cc1 |
| InChI | InChI=1S/C22H22ClN3/c23-20-11-9-19(10-12-20)22(18-6-2-1-3-7-18)26-16-14-25(15-17-26)21-8-4-5-13-24-21/h1-13,22H,14-17H2/t22-/m1/s1 |
| InChIK | QMVDYCYXQNDXFB-JOCHJYFZSA-N |
| TotalMolweight | 363.891 |
| Molweight | 363.891 |
| MonoisotopicMass | 363.150224 |
| CLogP | 4.5284 |
| CLogS | -4.27 |
| H Acceptors | 3 |
| TotalSurfaceArea | 281.6 |
| Relative PSA | 0.064169 |
| PolarSurfaceArea | 19.37 |
| Druglikeness | 5.2128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
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1 - 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-pyridin-2-ylpiperazine | 2 - 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-pyridin-2-ylpiperazine
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