(2R)-N-Hydroxybenzylanabasine
PubChem CID: 29955676
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| Compound Synonyms | (2R)-N-HYDROXYBENZYLANABASINE, 2-(((2R)-2-pyridin-3-ylpiperidin-1-yl)methyl)phenol, 2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]phenol, CHEMBL2386318 |
|---|---|
| Topological Polar Surface Area | 36.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C17H20N2O |
| Prediction Swissadme | 1.0 |
| Inchi Key | QKGCWXDVBXIISA-MRXNPFEDSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -3.633 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.85 |
| Compound Name | (2R)-N-Hydroxybenzylanabasine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 268.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.158 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 268.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.457132 |
| Inchi | InChI=1S/C17H20N2O/c20-17-9-2-1-6-15(17)13-19-11-4-3-8-16(19)14-7-5-10-18-12-14/h1-2,5-7,9-10,12,16,20H,3-4,8,11,13H2/t16-/m1/s1 |
| Smiles | C1CCN([C@H](C1)C2=CN=CC=C2)CC3=CC=CC=C3O |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alangium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all