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Home > Fluorides > 180847-28-3
180847-28-3 | Benzonitrile, 4-[[1-(3-fluoropropyl)-4-piperidinyl]methoxy]-
CAS No: 180847-28-3 Catalog No: AG0022DS MDL No:
Product Description
Catalog Number:
AG0022DS
Chemical Name:
Benzonitrile, 4-[[1-(3-fluoropropyl)-4-piperidinyl]methoxy]-
CAS Number:
180847-28-3
Molecular Formula:
C16H21FN2O
Molecular Weight:
276.3491
IUPAC Name:
4-[[1-(3-fluoropropyl)piperidin-4-yl]methoxy]benzonitrile
InChI:
InChI=1S/C16H21FN2O/c17-8-1-9-19-10-6-15(7-11-19)13-20-16-4-2-14(12-18)3-5-16/h2-5,15H,1,6-11,13H2
InChI Key:
KSMXCGCEJWKWOX-UHFFFAOYSA-N
SMILES:
FCCCN1CCC(CC1)COc1ccc(cc1)C#N
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.164g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.355g/mol
Monoisotopic Mass:
276.164g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Synthesis and in vivo evaluation of [18F]N-(2-benzofuranylmethyl)-N'-[4-(2-fluoroethoxy)benzyl]piperazine, a novel σ1 receptor PET imaging agent. | Bioorganic & medicinal chemistry letters 20111115 |
| In vivo evaluation in rats of [(18)F]1-(2-fluoroethyl)-4-[(4-cyanophenoxy)methyl]piperidine as a potential radiotracer for PET assessment of CNS sigma-1 receptors. | Nuclear medicine and biology 20060201 |
| Preclinical acute toxicity studies and dosimetry estimates of the novel sigma-1 receptor radiotracer, [18F]SFE. | Molecular imaging and biology : MIB : the official publication of the Academy of Molecular Imaging 20060101 |
| Preclinical acute toxicity studies and rodent-based dosimetry estimates of the novel sigma-1 receptor radiotracer [(18)F]FPS. | Nuclear medicine and biology 20030701 |
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