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Home > Indoles and Oxindole > 116480-63-8
116480-63-8 | 1H-Indole, 1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-
CAS No: 116480-63-8 Catalog No: AG000CL7 MDL No:
Product Description
Catalog Number:
AG000CL7
Chemical Name:
1H-Indole, 1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-
CAS Number:
116480-63-8
Molecular Formula:
C21H22N2
Molecular Weight:
302.4128
IUPAC Name:
1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
InChI:
InChI=1S/C21H22N2/c1-22-13-11-18(12-14-22)20-16-23(15-17-7-3-2-4-8-17)21-10-6-5-9-19(20)21/h2-11,16H,12-15H2,1H3
InChI Key:
JCCNEBIRCTWQEL-UHFFFAOYSA-N
SMILES:
CN1CCC(=CC1)c1cn(c2c1cccc2)Cc1ccccc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.178g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.421g/mol
Monoisotopic Mass:
302.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
8.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| N1-arylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives are potent and selective 5-HT6 receptor antagonists. | Bioorganic & medicinal chemistry letters 20050117 |
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