Common name
(1-methyl-4-piperidyl)methanol
IUPAC name
(1-methyl-4-piperidyl)methanol
SMILES
N1(CCC(CC1)CO)C
Common name
(1-methyl-4-piperidyl)methanol
IUPAC name
(1-methyl-4-piperidyl)methanol
SMILES
N1(CCC(CC1)CO)C
INCHI
InChI=1S/C7H15NO/c1-8-4-2-7(6-9)3-5-8/h7,9H,2-6H2,1H3
FORMULA
C7H15NO
Common name
(1-methyl-4-piperidyl)methanol
IUPAC name
(1-methyl-4-piperidyl)methanol
Molecular weight
129.200
clogP
0.784
clogS
-0.553
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
23.47
Number of Rings
1
Rotatable Bond
1
| 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. |
| FDBD01367 | Vandetanib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; CYP3A4 Inhibitors; | Vandetanib is currently approved as an alternative to local therapies for both unresectable and disseminated disease. Because Vandetanib can prolong the Q-T interval, it is contraindicated for use in patients with serious cardiac complications such as congenital long QT syndrome and uncompensated heart failure. |
2 ,
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
