| CAS Number | 868054-25-5 |
| Catalog Number | AG00IE7F(AGN-PC-0WQYD9) |
| Chemical Name | 1-[3-(Trifluoromethoxy)benzyl]piperazine |
| IUPAC Name | 1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine |
| InChI | InChI=1S/C12H15F3N2O/c13-12(14,15)18-11-3-1-2-10(8-11)9-17-6-4-16-5-7-17/h1-3,8,16H,4-7,9H2 |
| InChI Key | GOLWWZWJWXGGPC-UHFFFAOYSA-N |
| MDL Number | MFCD07368740 |
| Molecular Formula | C12H15F3N2O |
| Molecular Weight | 260.2555 |
| SMILES | FC(OC1=CC(CN2CCNCC2)=CC=C1)(F)F |
| Synonyms | 1-[3-(Trifluoromethoxy)benzyl]piperazine,
868054-25-5,
1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine,
1-{[3-(trifluoromethoxy)phenyl]methyl}piperazine,
AC1MD3ZN,
SCHEMBL4222828,
CTK7B7487,
KS-00003QRS,
MFCD07368740,
SBB102313,
ZINC22942249,
AKOS023032319,
PS-6407,
RT-006486,
trifluoro[3-(piperazinylmethyl)phenoxy]methane,
CID2783201,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.26g/mol |
| Monoisotopic Mass | 260.114g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 24.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number