| CAS Number | 91940-44-2 |
| Catalog Number | AG00IGYM(AGN-PC-0K9W0C) |
| Chemical Name | 1-[3-(4-Fluorophenoxy)propyl]piperazine |
| IUPAC Name | 1-[3-(4-fluorophenoxy)propyl]piperazine |
| InChI | InChI=1S/C13H19FN2O/c14-12-2-4-13(5-3-12)17-11-1-8-16-9-6-15-7-10-16/h2-5,15H,1,6-11H2 |
| InChI Key | KUBAKABDMNMEGZ-UHFFFAOYSA-N |
| MDL Number | MFCD03094420 |
| Molecular Formula | C13H19FN2O |
| Molecular Weight | 238.3012 |
| SMILES | FC2(=CC=C(OCCCN1(CCNCC1))C=C2) |
| Synonyms | 1-[3-(4-fluorophenoxy)propyl]piperazine,
91940-44-2,
1-(3-(4-FLUOROPHENOXY)PROPYL)PIPERAZINE,
AC1LYEX0,
SCHEMBL5753026,
CTK7C1064,
KUBAKABDMNMEGZ-UHFFFAOYSA-N,
KM3070,
MFCD03094420,
SBB098959,
ZINC19371683,
AKOS000343391,
MCULE-7478622070,
PS-7613,
KS-00003R41,
1-fluoro-4-(3-piperazinylpropoxy)benzene,
1-[3-(4-Fluorophenoxy)prop-1-yl]piperazine,
CID1873396,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.306g/mol |
| Monoisotopic Mass | 238.148g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 24.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number