1-(4-Hydroxypiperidin-1-yl)-3-phenylpropan-1-one
PubChem CID: 22175162
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| Compound Synonyms | 1-(4-hydroxypiperidin-1-yl)-3-phenylpropan-1-one, 321597-49-3, SCHEMBL4704100, JUMBEHLEQICDSF-UHFFFAOYSA-N, AKOS008984915, 1-(3-phenylpropionyl)-4-hydroxypiperidine, F1908-0829 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 241.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-hydroxypiperidin-1-yl)-3-phenylpropan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C14H19NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JUMBEHLEQICDSF-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.961 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.105 |
| Compound Name | 1-(4-Hydroxypiperidin-1-yl)-3-phenylpropan-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 233.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 233.142 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 233.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.216104670588235 |
| Inchi | InChI=1S/C14H19NO2/c16-13-8-10-15(11-9-13)14(17)7-6-12-4-2-1-3-5-12/h1-5,13,16H,6-11H2 |
| Smiles | C1CN(CCC1O)C(=O)CCC2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Methysticum (Plant) Rel Props:Source_db:cmaup_ingredients