Common name
(1-propyl-4-piperidyl)methanol
IUPAC name
(1-propyl-4-piperidyl)methanol
SMILES
C(C)CN1CCC(CC1)CO
Common name
(1-propyl-4-piperidyl)methanol
IUPAC name
(1-propyl-4-piperidyl)methanol
SMILES
C(C)CN1CCC(CC1)CO
INCHI
InChI=1S/C9H19NO/c1-2-5-10-6-3-9(8-11)4-7-10/h9,11H,2-8H2,1H3
FORMULA
C9H19NO
Common name
(1-propyl-4-piperidyl)methanol
IUPAC name
(1-propyl-4-piperidyl)methanol
Molecular weight
157.253
clogP
1.426
clogS
-1.387
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
23.47
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00805 | Fexofenadine |
|
Anti-Allergic Agents; Histamine H1 Antagonists, Non-Sedating; Histamine Antagonists; Respiratory System; Antihistamines for Systemic Use; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For management of Seasonal allergic rhinitis. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4og5_ligand_3_25.mol2 | 4og5 | 1 | -5.82 | C(C)C[N@@H+]1CC[C@H](CC1)CO | 11 |
| 4og7_ligand_3_46.mol2 | 4og7 | 1 | -5.80 | C(CC)[N@@H+]1CC[C@H](CC1)CO | 11 |
| 4og4_ligand_3_25.mol2 | 4og4 | 1 | -5.77 | CCC[N@H+]1CC[C@@H](CC1)CO | 11 |
| 4og3_ligand_3_25.mol2 | 4og3 | 1 | -5.71 | C(C)C[N@H+]1CC[C@@H](CC1)CO | 11 |
| 4hf4_ligand_1_5.mol2 | 4hf4 | 0.96 | -6.02 | [C@H](O)(C)C1CC[NH2+]CC1 | 9 |
| 4ezl_ligand_2_0.mol2 | 4ezl | 0.96 | -5.97 | C[N@H+]1CC[C@@H](CC1)C(C)(O)C | 11 |
| 4ezk_ligand_2_0.mol2 | 4ezk | 0.96 | -5.93 | [N@@H+]1(CC[C@@H](CC1)C(O)(C)C)C | 11 |
| 4gb9_ligand_2_0.mol2 | 4gb9 | 0.96 | -5.89 | [N@@H+]1(CC[C@@H](CC1)C(O)(C)C)C | 11 |
| 4ezl_ligand_1_0.mol2 | 4ezl | 0.96 | -5.88 | C1(CC[NH2+]CC1)C(C)(O)C | 10 |
| 4fod_ligand_1_4.mol2 | 4fod | 0.96 | -5.88 | [N@H+]1(CC[C@H](CC1)C(O)(C)C)C | 11 |
104 ,
11
