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Home > Indoles and Oxindole > 116480-59-2
116480-59-2 | 1H-Indole, 5-methyl-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-
CAS No: 116480-59-2 Catalog No: AG000CL9 MDL No:
Product Description
Catalog Number:
AG000CL9
Chemical Name:
1H-Indole, 5-methyl-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-
CAS Number:
116480-59-2
Molecular Formula:
C15H18N2
Molecular Weight:
226.3168
IUPAC Name:
5-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
InChI:
InChI=1S/C15H18N2/c1-11-3-4-15-13(9-11)14(10-16-15)12-5-7-17(2)8-6-12/h3-5,9-10,16H,6-8H2,1-2H3
InChI Key:
OZABQVLBBKUAEC-UHFFFAOYSA-N
SMILES:
CN1CCC(=CC1)c1c[nH]c2c1cc(C)cc2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.323g/mol
Monoisotopic Mass:
226.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Conformationally restricted homotryptamines 3. Indole tetrahydropyridines and cyclohexenylamines as selective serotonin reuptake inhibitors. | Bioorganic & medicinal chemistry letters 20070601 |
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