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Home > Indoles and Oxindole > 827015-75-8
827015-75-8 | 1H-Indole, 3-[[4-(2-methoxyphenyl)-1-piperidinyl]methyl]-2-phenyl-
CAS No: 827015-75-8 Catalog No: AG0051S5 MDL No:
Product Description
Catalog Number:
AG0051S5
Chemical Name:
1H-Indole, 3-[[4-(2-methoxyphenyl)-1-piperidinyl]methyl]-2-phenyl-
CAS Number:
827015-75-8
Molecular Formula:
C27H28N2O
Molecular Weight:
396.5240
IUPAC Name:
3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole
InChI:
InChI=1S/C27H28N2O/c1-30-26-14-8-6-11-22(26)20-15-17-29(18-16-20)19-24-23-12-5-7-13-25(23)28-27(24)21-9-3-2-4-10-21/h2-14,20,28H,15-19H2,1H3
InChI Key:
RKQKIQROAPOIFC-UHFFFAOYSA-N
SMILES:
COc1ccccc1C1CCN(CC1)Cc1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.22g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.534g/mol
Monoisotopic Mass:
396.22g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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