| CAS Number | 65214-80-4 |
| Catalog Number | AG00IBGY(AGN-PC-0WRA0S) |
| Chemical Name | 1-[(4-Fluorophenyl)(4-methoxyphenyl)methyl]piperazine |
| IUPAC Name | 1-[(4-fluorophenyl)-(4-methoxyphenyl)methyl]piperazine |
| InChI | InChI=1S/C18H21FN2O/c1-22-17-8-4-15(5-9-17)18(21-12-10-20-11-13-21)14-2-6-16(19)7-3-14/h2-9,18,20H,10-13H2,1H3 |
| InChI Key | GLVBLLWAMLAJTR-UHFFFAOYSA-N |
| MDL Number | MFCD05187181 |
| Molecular Formula | C18H21FN2O |
| Molecular Weight | 300.3705 |
| SMILES | COc1ccc(cc1)C(c1ccc(cc1)F)N1CCNCC1 |
| Synonyms | 1-[(4-fluorophenyl)(4-methoxyphenyl)methyl]piperazine,
65214-80-4,
1-((4-Fluorophenyl)(4-methoxyphenyl)methyl)piperazine,
SCHEMBL11206567,
BHZ-3335,
ZX-BK002779,
BBL021914,
KM4948,
STK894631,
AKOS005143837,
MCULE-3750673099,
AC1NG762,
CID4695125,
1-[(4-fluorophenyl)-(4-methoxyphenyl)methyl]piperazine,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.163791g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.4g/mol |
| Monoisotopic Mass | 300.163791g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 24.5Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number