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1683-23-4 | Pyridine, 1,2,3,6-tetrahydro-4-[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)
CAS No: 1683-23-4 Catalog No: AG001Y09 MDL No:
Product Description
Catalog Number:
AG001Y09
Chemical Name:
Pyridine, 1,2,3,6-tetrahydro-4-[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)
CAS Number:
1683-23-4
Molecular Formula:
C12H13ClF3N
Molecular Weight:
263.6865
IUPAC Name:
4-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
InChI:
InChI=1S/C12H12F3N.ClH/c13-12(14,15)11-3-1-2-10(8-11)9-4-6-16-7-5-9;/h1-4,8,16H,5-7H2;1H
InChI Key:
RJFISGALWPADNA-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)C1=CCNCC1)(F)F.Cl
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.688g/mol
Monoisotopic Mass:
263.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR study of 4-arylpiperidines and 4-aryl-1,2,3,6-tetrahydropyridines as 5-HT₂C agonists. | Bioorganic & medicinal chemistry letters 20120401 |
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