AC1MHI1X

1,3-bis[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol;phosphoric acid

Also Known As: LJ 1154|1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate|1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-alpha-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-, phosphate (1:2) (salt)|1,3-bis[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol; phosphoric acid|Phosphoric acid--1,3-bis{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-ol (2/1)

Molecular Formula	C25H36F6N4O9P2
Molecular Weight	712.18616 g/mol
LogP	2.1721
Topological Polar Surface Area	188.71 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	712.18616
Monoisotopic Mass	712.18616
Heavy Atoms	46
Complexity	1213.521

Chemical Identifiers

CAS Number	67931-90-2
SMILES	C1CN(CCN1CC(CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O)C4=CC=CC(=C4)C(F)(F)F.OP(=O)(O)O.OP(=O)(O)O