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Home > Indoles and Oxindole > 827326-44-3
827326-44-3 | 1H-Indole, 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-
CAS No: 827326-44-3 Catalog No: AG004ZQ6 MDL No:
Product Description
Catalog Number:
AG004ZQ6
Chemical Name:
1H-Indole, 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-
CAS Number:
827326-44-3
Molecular Formula:
C21H25N3
Molecular Weight:
319.4433
IUPAC Name:
3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1H-indole
InChI:
InChI=1S/C21H25N3/c1-16-6-5-9-21(17(16)2)24-12-10-23(11-13-24)15-18-14-22-20-8-4-3-7-19(18)20/h3-9,14,22H,10-13,15H2,1-2H3
InChI Key:
WPTJQRPJBCUVFJ-UHFFFAOYSA-N
SMILES:
Cc1c(C)cccc1N1CCN(CC1)Cc1c[nH]c2c1cccc2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.205g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.452g/mol
Monoisotopic Mass:
319.205g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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