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Home > Fluorides > 100508-25-6
100508-25-6 | Piperazine, 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-propyl-
CAS No: 100508-25-6 Catalog No: AG000270 MDL No:
Product Description
Catalog Number:
AG000270
Chemical Name:
Piperazine, 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-propyl-
CAS Number:
100508-25-6
Molecular Formula:
C22H28F2N2O
Molecular Weight:
374.4673
IUPAC Name:
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-propylpiperazine
InChI:
InChI=1S/C22H28F2N2O/c1-2-11-25-12-14-26(15-13-25)16-17-27-22(18-3-7-20(23)8-4-18)19-5-9-21(24)10-6-19/h3-10,22H,2,11-17H2,1H3
InChI Key:
GXWCBMVAILMLDT-UHFFFAOYSA-N
SMILES:
CCCN1CCN(CC1)CCOC(c1ccc(cc1)F)c1ccc(cc1)F
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.217g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.476g/mol
Monoisotopic Mass:
374.217g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
15.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| DAT/SERT selectivity of flexible GBR 12909 analogs modeled using 3D-QSAR methods. | Bioorganic & medicinal chemistry 20070115 |
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