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Home > Indoles and Oxindole > 221109-26-8
221109-26-8 | 2-Phenyl-3-(4-piperidinyl)-1H-indole
CAS No: 221109-26-8 Catalog No: AG00386A MDL No:MFCD03426314
Product Description
Catalog Number:
AG00386A
Chemical Name:
2-Phenyl-3-(4-piperidinyl)-1H-indole
CAS Number:
221109-26-8
Molecular Formula:
C19H20N2
Molecular Weight:
276.3755
MDL Number:
MFCD03426314
IUPAC Name:
2-phenyl-3-piperidin-4-yl-1H-indole
InChI:
InChI=1S/C19H20N2/c1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19/h1-9,14,20-21H,10-13H2
InChI Key:
FWPAVENSJPMGJO-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)c1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.383g/mol
Monoisotopic Mass:
276.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers. | Journal of medicinal chemistry 20090723 |
| 3-(4-Fluoropiperidin-3-yl)-2-phenylindoles as high affinity, selective, and orally bioavailable h5-HT(2A) receptor antagonists. | Journal of medicinal chemistry 20010510 |
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