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Home > Indoles and Oxindole > 933719-98-3
933719-98-3 | 2-(piperazin-1-yl)-1H-indole
CAS No: 933719-98-3 Catalog No: AG01ANDY MDL No:MFCD29041074
Product Description
Catalog Number:
AG01ANDY
Chemical Name:
2-(piperazin-1-yl)-1H-indole
CAS Number:
933719-98-3
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD29041074
IUPAC Name:
2-piperazin-1-yl-1H-indole
InChI:
InChI=1S/C12H15N3/c1-2-4-11-10(3-1)9-12(14-11)15-7-5-13-6-8-15/h1-4,9,13-14H,5-8H2
InChI Key:
FBCZWQNVHNIQOD-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1cc2c([nH]1)cccc2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Scaffold tailoring by a newly detected Pictet-Spenglerase activity of strictosidine synthase: from the common tryptoline skeleton to the rare piperazino-indole framework. | Journal of the American Chemical Society 20120125 |
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