200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 827016-72-8
827016-72-8 | 1H-Indole, 2-[[4-(2,6-dimethylphenyl)-1-piperidinyl]methyl]-3-phenyl-
CAS No: 827016-72-8 Catalog No: AG005B0R MDL No:
Product Description
Catalog Number:
AG005B0R
Chemical Name:
1H-Indole, 2-[[4-(2,6-dimethylphenyl)-1-piperidinyl]methyl]-3-phenyl-
CAS Number:
827016-72-8
Molecular Formula:
C28H30N2
Molecular Weight:
394.5512
IUPAC Name:
2-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-3-phenyl-1H-indole
InChI:
InChI=1S/C28H30N2/c1-20-9-8-10-21(2)27(20)23-15-17-30(18-16-23)19-26-28(22-11-4-3-5-12-22)24-13-6-7-14-25(24)29-26/h3-14,23,29H,15-19H2,1-2H3
InChI Key:
BJIMXKHBESSZBH-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1C1CCN(CC1)Cc1[nH]c2c(c1c1ccccc1)cccc2)C
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.241g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.562g/mol
Monoisotopic Mass:
394.241g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.