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Home > Indoles and Oxindole > 827016-65-9
827016-65-9 | 1H-Indole, 2-[[4-(2,6-dimethylphenyl)-1-piperidinyl]methyl]-
CAS No: 827016-65-9 Catalog No: AG004WJL MDL No:
Product Description
Catalog Number:
AG004WJL
Chemical Name:
1H-Indole, 2-[[4-(2,6-dimethylphenyl)-1-piperidinyl]methyl]-
CAS Number:
827016-65-9
Molecular Formula:
C22H26N2
Molecular Weight:
318.4552
IUPAC Name:
2-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indole
InChI:
InChI=1S/C22H26N2/c1-16-6-5-7-17(2)22(16)18-10-12-24(13-11-18)15-20-14-19-8-3-4-9-21(19)23-20/h3-9,14,18,23H,10-13,15H2,1-2H3
InChI Key:
DPVDVJYYQMQHPE-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1C1CCN(CC1)Cc1cc2c([nH]1)cccc2)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.21g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.464g/mol
Monoisotopic Mass:
318.21g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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