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Home > Indoles and Oxindole > 204687-20-7
204687-20-7 | 1H-Indole, 3-(3-piperidinyl)-
CAS No: 204687-20-7 Catalog No: AG0029N8 MDL No:MFCD08234475
Product Description
Catalog Number:
AG0029N8
Chemical Name:
1H-Indole, 3-(3-piperidinyl)-
CAS Number:
204687-20-7
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
MDL Number:
MFCD08234475
IUPAC Name:
3-piperidin-3-yl-1H-indole
InChI:
InChI=1S/C13H16N2/c1-2-6-13-11(5-1)12(9-15-13)10-4-3-7-14-8-10/h1-2,5-6,9-10,14-15H,3-4,7-8H2
InChI Key:
NSTKAVLBVZXAHE-UHFFFAOYSA-N
SMILES:
C1CCC(CN1)c1c[nH]c2c1cccc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.285g/mol
Monoisotopic Mass:
200.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Conformational refinement of hydroxamate-based histone deacetylase inhibitors and exploration of 3-piperidin-3-ylindole analogues of dacinostat (LAQ824). | Journal of medicinal chemistry 20100408 |
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