Common name
1-methyl-4-phenyl-piperazine
IUPAC name
1-methyl-4-phenyl-piperazine
SMILES
c1(ccccc1)N2CCN(CC2)C
Common name
1-methyl-4-phenyl-piperazine
IUPAC name
1-methyl-4-phenyl-piperazine
SMILES
c1(ccccc1)N2CCN(CC2)C
INCHI
InChI=1S/C11H16N2/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
FORMULA
C11H16N2
Common name
1-methyl-4-phenyl-piperazine
IUPAC name
1-methyl-4-phenyl-piperazine
Molecular weight
176.258
clogP
1.562
clogS
-1.806
Frequency
0.0014
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
6.48
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01194 | Antrafenine |
|
; | Antrafenine is used as an anti-inflammatory and analgesic agent for the relief of mild to moderate pain. |
| FDBD01346 | Flibanserin |
|
Genito Urinary System and Sex Hormones; CYP3A4 Inhibitors; | For the treatment of hypoactive sexual desire disorder (HSDD) in premenopausal women. |
| FDBD01734 | Lorpiprazole |
|
; | |
| FDBD01838 | Venetoclax |
|
; | For the treatment of patients with chronic lymphocytic leukemia (CLL) with 17p deletion, as detected by an FDA approved test, who have received at least one prior therapy. |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ql1_ligand_1_3.mol2 | 4ql1 | 1 | -7.19 | c1ccccc1N1CC[NH+](CC1)C | 13 |
| 4hyi_ligand_1_1.mol2 | 4hyi | 1 | -7.01 | c1cccc(c1)N1CC[NH2+]CC1 | 12 |
| 2yac_ligand_1_3.mol2 | 2yac | 1 | -6.87 | c1cc(ccc1)N1CC[NH+](CC1)C | 13 |
| 2xnb_ligand_1_0.mol2 | 2xnb | 1 | -6.66 | C1C[NH2+]CCN1c1ccccc1 | 12 |
| 2owb_ligand_1_2.mol2 | 2owb | 1 | -6.65 | N1(CC[NH+](CC1)C)c1ccccc1 | 13 |
| 4f4p_ligand_1_0.mol2 | 4f4p | 1 | -6.65 | c1(ccccc1)N1CC[NH2+]CC1 | 12 |
101 ,
11
