1-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine--oxalic acid (1/1)
1-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3702-0842 |
| Compound Name: | 1-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine--oxalic acid (1/1) |
| Molecular Weight: | 498.45 |
| Molecular Formula: | C21 H23 F3 N2 O3 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CN2CCN(CC2)Cc2ccc(cc2)C(F)(F)F)cc2c1OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.6259 |
| logD: | 1.255 |
| logSw: | -3.8868 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.942 |
| InChI Key: | KIKXLTXOVBPWFF-UHFFFAOYSA-N |