1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine--oxalic acid (1/1)
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0957 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine--oxalic acid (1/1) |
| Molecular Weight: | 468.43 |
| Molecular Formula: | C20 H21 F3 N2 O2 |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1Cc1ccc(cc1)C(F)(F)F)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.6872 |
| logD: | 2.7159 |
| logSw: | -4.103 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.6269 |
| InChI Key: | SXUGLUNPDLVMBV-UHFFFAOYSA-N |