| CAS Number | 523980-75-8 |
| Catalog Number | AG019NWK |
| Chemical Name | 1-[(5-Fluoro-2-methoxyphenyl)methyl]piperazine |
| IUPAC Name | 1-[(5-fluoro-2-methoxyphenyl)methyl]piperazine |
| InChI | InChI=1S/C12H17FN2O/c1-16-12-3-2-11(13)8-10(12)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3 |
| InChI Key | WSVHAGDWEZZIGZ-UHFFFAOYSA-N |
| MDL Number | MFCD05189170 |
| Molecular Formula | C12H17FN2O |
| Molecular Weight | 224.2746 |
| SMILES | COC1=C(CN2CCNCC2)C=C(F)C=C1 |
| Synonyms | 1-[(5-fluoro-2-methoxyphenyl)methyl]piperazine,
1-(5-fluoro-2-methoxybenzyl)piperazine,
523980-75-8,
AC1M7UNC,
AC1Q45J0,
SCHEMBL1714907,
CTK7A6212,
SBB040474,
ZINC20268128,
AKOS000268808,
MCULE-7947457361,
NE22577,
1-(5-Fluoro-2-methoxy-benzyl)-piperazine,
BB 0249439,
EN300-12009,
4-fluoro-1-methoxy-2-(piperazinylmethyl)benzene,
Z57983108,
CID2449442,
1-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.279g/mol |
| Monoisotopic Mass | 224.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 24.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number