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Home > Indoles and Oxindole > 827015-61-2
827015-61-2 | 1H-Indole, 3-[[4-(4-methoxyphenyl)-1-piperidinyl]methyl]-2-phenyl-
CAS No: 827015-61-2 Catalog No: AG0051SB MDL No:
Product Description
Catalog Number:
AG0051SB
Chemical Name:
1H-Indole, 3-[[4-(4-methoxyphenyl)-1-piperidinyl]methyl]-2-phenyl-
CAS Number:
827015-61-2
Molecular Formula:
C27H28N2O
Molecular Weight:
396.5240
IUPAC Name:
3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole
InChI:
InChI=1S/C27H28N2O/c1-30-23-13-11-20(12-14-23)21-15-17-29(18-16-21)19-25-24-9-5-6-10-26(24)28-27(25)22-7-3-2-4-8-22/h2-14,21,28H,15-19H2,1H3
InChI Key:
PMXTVBNRMJFLDP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1CCN(CC1)Cc1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
517
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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