Common name
2-(1-piperidyl)ethanol
IUPAC name
2-(1-piperidyl)ethanol
SMILES
C(CN1CCCCC1)O
Common name
2-(1-piperidyl)ethanol
IUPAC name
2-(1-piperidyl)ethanol
SMILES
C(CN1CCCCC1)O
INCHI
InChI=1S/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2
FORMULA
C7H15NO
Common name
2-(1-piperidyl)ethanol
IUPAC name
2-(1-piperidyl)ethanol
Molecular weight
129.200
clogP
1.069
clogS
-0.801
Frequency
0.0010
HBond Acceptor
2
HBond Donor
1
Total Polar
Surface Area
23.47
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00354 | Raloxifene |
|
Bone Density Conservation Agents; Estrogen Antagonists; Selective Estrogen Receptor Modulators; Antihypocalcemic Agents; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP3A4 Inhibitors; | For the prevention and treatment of osteoporosis in post-menopausal women, as well as prevention and treatment of corticosteroid-induced bone loss. Also for the reduction in the incidence of invasive breast cancer in postmenopausal women with osteoporosis or have a high risk for developing breast cancer. |
| FDBD01514 | Pipazethate |
|
Antitussive Agents; Cough and Cold Preparations; Respiratory System; | For the treatment of cough. |
| FDBD01619 | Cloperastine |
|
Cough and Cold Preparations; Respiratory System; |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2iog_ligand_3_164.mol2 | 2iog | 1 | -6.39 | C(O)C[NH+]1CCCCC1 | 9 |
| 1b6l_ligand_2_11.mol2 | 1b6l | 1 | -6.18 | [NH+]1(CCCCC1)CCO | 9 |
| 2ayr_ligand_3_55.mol2 | 2ayr | 1 | -6.11 | [NH+]1(CCCCC1)CCO | 9 |
| 2r6w_ligand_3_17.mol2 | 2r6w | 1 | -6.06 | C(C[N@H+]1CC[C@@H](CC1)C)O | 10 |
| 1sj0_ligand_3_19.mol2 | 1sj0 | 1 | -6.05 | OCC[NH+]1CCCCC1 | 9 |
| 1idb_ligand_2_33.mol2 | 1idb | 1 | -5.97 | C(CO)[NH+]1CCCCC1 | 9 |
| 1err_ligand_3_19.mol2 | 1err | 1 | -5.95 | [NH+]1(CCCCC1)CCO | 9 |
| 1ida_ligand_2_50.mol2 | 1ida | 1 | -5.92 | [NH+]1(CCCCC1)CCO | 9 |
| 1uom_ligand_3_0.mol2 | 1uom | 1 | -5.85 | C(O)C[NH+]1CCCCC1 | 9 |
| 1qkn_ligand_3_19.mol2 | 1qkn | 1 | -5.29 | OCC[NH+]1CCCCC1 | 9 |
141 ,
15
