Common name
1-methyl-4-[3-(trifluoromethyl)phenyl]piperazine
IUPAC name
1-methyl-4-[3-(trifluoromethyl)phenyl]piperazine
SMILES
c1(cc(ccc1)C(F)(F)F)N2CCN(CC2)C
Common name
1-methyl-4-[3-(trifluoromethyl)phenyl]piperazine
IUPAC name
1-methyl-4-[3-(trifluoromethyl)phenyl]piperazine
SMILES
c1(cc(ccc1)C(F)(F)F)N2CCN(CC2)C
INCHI
InChI=1S/C12H15F3N2/c1-16-5-7-17(8-6-16)11-4-2-3-10(9-11)12(13,14)15/h2-4,9H,5-8H2,1H3
FORMULA
C12H15F3N2
Common name
1-methyl-4-[3-(trifluoromethyl)phenyl]piperazine
IUPAC name
1-methyl-4-[3-(trifluoromethyl)phenyl]piperazine
Molecular weight
244.256
clogP
2.488
clogS
-2.853
Frequency
0.0010
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
6.48
Number of Rings
2
Rotatable Bond
2
| 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 |
|
; |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h1d_ligand_4_9.mol2 | 1h1d | 1 | -5.85 | CC[NH+]1CCN(CC1)c1cccc(C(F)(F)F)c1 | 18 |
| 1h1d_ligand_3_9.mol2 | 1h1d | 1 | -5.70 | C[NH+]1CCN(CC1)c1cccc(C(F)(F)F)c1 | 17 |
| 1h1d_ligand_2_4.mol2 | 1h1d | 1 | -5.64 | C(F)(F)(F)c1cccc(N2CC[NH2+]CC2)c1 | 16 |
| 2r6n_ligand_2_4.mol2 | 2r6n | 0.72549 | -6.19 | Cc1ccc(cc1)N1CC[NH+](CC1)C | 14 |
| 4dhm_ligand_3_19.mol2 | 4dhm | 0.684211 | -5.81 | c1(cc(ccc1)C(F)(F)F)NC(=O)C | 14 |
| 4ql1_ligand_1_3.mol2 | 4ql1 | 0.653061 | -7.19 | c1ccccc1N1CC[NH+](CC1)C | 13 |
| 4hyi_ligand_1_1.mol2 | 4hyi | 0.653061 | -7.01 | c1cccc(c1)N1CC[NH2+]CC1 | 12 |
105 ,
11
