Common name
4-methoxy-1-methyl-piperidine
IUPAC name
4-methoxy-1-methyl-piperidine
SMILES
COC1CCN(CC1)C
Common name
4-methoxy-1-methyl-piperidine
IUPAC name
4-methoxy-1-methyl-piperidine
SMILES
COC1CCN(CC1)C
INCHI
InChI=1S/C7H15NO/c1-8-5-3-7(9-2)4-6-8/h7H,3-6H2,1-2H3
FORMULA
C7H15NO
Common name
4-methoxy-1-methyl-piperidine
IUPAC name
4-methoxy-1-methyl-piperidine
Molecular weight
129.200
clogP
0.933
clogS
-0.850
Frequency
0.0007
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
12.47
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00994 | Diphenylpyraline |
|
Histamine Antagonists; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; | For use in the treatment of allergic rhinitis, hay fever, and allergic skin disorders. |
| FDBD01342 | Bepotastine |
|
Mast Cell Stabilizers; | For the symptomatic treatment of itchy eyes (caused by IgE-induced mast cell degranulation) due to allergic conjunctivitis. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2cvd_ligand_3_26.mol2 | 2cvd | 1 | -5.80 | [C@@H]1(CC[N@H+](CC1)C)OC | 9 |
| 2cvd_ligand_4_45.mol2 | 2cvd | 0.965517 | -5.97 | [C@@H]1(CC[N@H+](CC1)CC)OC | 10 |
| 2cvd_ligand_2_8.mol2 | 2cvd | 0.964286 | -5.71 | C1(CC[NH2+]CC1)OC | 8 |
| 4rj8_ligand_1_2.mol2 | 4rj8 | 0.964286 | -5.71 | C1C[NH2+]CCC1OC | 8 |
| 5c8k_ligand_1_2.mol2 | 5c8k | 0.964286 | -5.67 | O(C)C1CC[NH2+]CC1 | 8 |
| 5c8n_ligand_1_5.mol2 | 5c8n | 0.964286 | -5.66 | O(C)C1CC[NH2+]CC1 | 8 |
| 4rj4_ligand_1_4.mol2 | 4rj4 | 0.964286 | -5.64 | [NH2+]1CCC(CC1)OC | 8 |
| 4rj3_ligand_1_2.mol2 | 4rj3 | 0.964286 | -5.58 | O(C)C1CC[NH2+]CC1 | 8 |
| 4rj6_ligand_1_2.mol2 | 4rj6 | 0.964286 | -5.33 | O(C)C1CC[NH2+]CC1 | 8 |
| 4rj5_ligand_1_2.mol2 | 4rj5 | 0.964286 | -5.30 | C1C[NH2+]CCC1OC | 8 |
126 ,
13
