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Home > Indoles and Oxindole > 110331-76-5
110331-76-5 | 1H-Indole,1-phenyl-3-[2-(1-piperidinyl)ethyl]-
CAS No: 110331-76-5 Catalog No: AG007DCR MDL No:
Product Description
Catalog Number:
AG007DCR
Chemical Name:
1H-Indole,1-phenyl-3-[2-(1-piperidinyl)ethyl]-
CAS Number:
110331-76-5
Molecular Formula:
C21H24N2
Molecular Weight:
304.4287
IUPAC Name:
1-phenyl-3-(2-piperidin-1-ylethyl)indole
InChI:
InChI=1S/C21H24N2/c1-3-9-19(10-4-1)23-17-18(20-11-5-6-12-21(20)23)13-16-22-14-7-2-8-15-22/h1,3-6,9-12,17H,2,7-8,13-16H2
InChI Key:
MJVHQIOXYTTYSU-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)CCc1cn(c2c1cccc2)c1ccccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.194g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.437g/mol
Monoisotopic Mass:
304.194g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
8.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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