Common name
(1-ethyl-4-piperidyl)methanol
IUPAC name
(1-ethyl-4-piperidyl)methanol
SMILES
CCN1CCC(CC1)CO
Common name
(1-ethyl-4-piperidyl)methanol
IUPAC name
(1-ethyl-4-piperidyl)methanol
SMILES
CCN1CCC(CC1)CO
INCHI
InChI=1S/C8H17NO/c1-2-9-5-3-8(7-10)4-6-9/h8,10H,2-7H2,1H3
FORMULA
C8H17NO
Common name
(1-ethyl-4-piperidyl)methanol
IUPAC name
(1-ethyl-4-piperidyl)methanol
Molecular weight
143.227
clogP
1.092
clogS
-0.971
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
23.47
Number of Rings
1
Rotatable Bond
2
| 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 |
|---|---|---|---|---|---|
| 4hf4_ligand_1_5.mol2 | 4hf4 | 1 | -6.02 | [C@H](O)(C)C1CC[NH2+]CC1 | 9 |
| 4ezl_ligand_2_0.mol2 | 4ezl | 1 | -5.97 | C[N@H+]1CC[C@@H](CC1)C(C)(O)C | 11 |
| 4ezk_ligand_2_0.mol2 | 4ezk | 1 | -5.93 | [N@@H+]1(CC[C@@H](CC1)C(O)(C)C)C | 11 |
| 4gb9_ligand_2_0.mol2 | 4gb9 | 1 | -5.89 | [N@@H+]1(CC[C@@H](CC1)C(O)(C)C)C | 11 |
| 4ezl_ligand_1_0.mol2 | 4ezl | 1 | -5.88 | C1(CC[NH2+]CC1)C(C)(O)C | 10 |
| 4fod_ligand_1_4.mol2 | 4fod | 1 | -5.88 | [N@H+]1(CC[C@H](CC1)C(O)(C)C)C | 11 |
| 4ezj_ligand_1_3.mol2 | 4ezj | 1 | -5.87 | C[N@@H+]1CC[C@H](CC1)C(O)(C)C | 11 |
| 4ezk_ligand_1_1.mol2 | 4ezk | 1 | -5.83 | [NH2+]1CCC(CC1)C(O)(C)C | 10 |
| 4fod_ligand_frag_5.mol2 | 4fod | 1 | -5.83 | [NH2+]1CCC(CC1)C(O)(C)C | 10 |
| 4gb9_ligand_1_1.mol2 | 4gb9 | 1 | -5.80 | [NH2+]1CCC(CC1)C(O)(C)C | 10 |
167 ,
17
