Common name
4-methoxypiperidine
IUPAC name
4-methoxypiperidine
SMILES
N1CCC(CC1)OC
Common name
4-methoxypiperidine
IUPAC name
4-methoxypiperidine
SMILES
N1CCC(CC1)OC
INCHI
InChI=1S/C6H13NO/c1-8-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3
FORMULA
C6H13NO
Common name
4-methoxypiperidine
IUPAC name
4-methoxypiperidine
Molecular weight
115.174
clogP
1.105
clogS
-1.161
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
21.26
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01342 | Bepotastine |
|
Mast Cell Stabilizers; | For the symptomatic treatment of itchy eyes (caused by IgE-induced mast cell degranulation) due to allergic conjunctivitis. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2cvd_ligand_2_8.mol2 | 2cvd | 1 | -5.71 | C1(CC[NH2+]CC1)OC | 8 |
| 4rj8_ligand_1_2.mol2 | 4rj8 | 1 | -5.71 | C1C[NH2+]CCC1OC | 8 |
| 5c8k_ligand_1_2.mol2 | 5c8k | 1 | -5.67 | O(C)C1CC[NH2+]CC1 | 8 |
| 5c8n_ligand_1_5.mol2 | 5c8n | 1 | -5.66 | O(C)C1CC[NH2+]CC1 | 8 |
| 4rj4_ligand_1_4.mol2 | 4rj4 | 1 | -5.64 | [NH2+]1CCC(CC1)OC | 8 |
| 4rj3_ligand_1_2.mol2 | 4rj3 | 1 | -5.58 | O(C)C1CC[NH2+]CC1 | 8 |
| 4rj6_ligand_1_2.mol2 | 4rj6 | 1 | -5.33 | O(C)C1CC[NH2+]CC1 | 8 |
| 4rj5_ligand_1_2.mol2 | 4rj5 | 1 | -5.30 | C1C[NH2+]CCC1OC | 8 |
| 5c8n_ligand_2_18.mol2 | 5c8n | 0.964286 | -5.90 | O(C)C1(CC[NH2+]CC1)C | 9 |
| 2cvd_ligand_3_26.mol2 | 2cvd | 0.964286 | -5.80 | [C@@H]1(CC[N@H+](CC1)C)OC | 9 |
101 ,
11
