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Home > Indoles and Oxindole > 109934-52-3
109934-52-3 | 1H-Indole,1-phenyl-3-(1-piperidinylmethyl)-
CAS No: 109934-52-3 Catalog No: AG007W6N MDL No:
Product Description
Catalog Number:
AG007W6N
Chemical Name:
1H-Indole,1-phenyl-3-(1-piperidinylmethyl)-
CAS Number:
109934-52-3
Molecular Formula:
C20H22N2
Molecular Weight:
290.4021
IUPAC Name:
1-phenyl-3-(piperidin-1-ylmethyl)indole
InChI:
InChI=1S/C20H22N2/c1-3-9-18(10-4-1)22-16-17(15-21-13-7-2-8-14-21)19-11-5-6-12-20(19)22/h1,3-6,9-12,16H,2,7-8,13-15H2
InChI Key:
PTXKHFUJNGYOTL-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)Cc1cn(c2c1cccc2)c1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.178g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.41g/mol
Monoisotopic Mass:
290.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
8.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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