Cas no 71765-50-9 (1,2-Ethanedione,1-(3-hydroxy-1-piperidinyl)-2-(1H-indol-3-yl)-)
71765-50-9 structure
Product Name:1,2-Ethanedione,1-(3-hydroxy-1-piperidinyl)-2-(1H-indol-3-yl)-
CAS No:71765-50-9
MF:C15H16N2O3
MW:272.299143791199
CID:571304
PubChem ID:3054773
Update Time:2025-04-19
1,2-Ethanedione,1-(3-hydroxy-1-piperidinyl)-2-(1H-indol-3-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Ethanedione,1-(3-hydroxy-1-piperidinyl)-2-(1H-indol-3-yl)-
- 1-(1H-Indol-3-yloxoacetyl)-3-piperidinol
- 1-(3-hydroxypiperidin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
- 71765-50-9
- 3-Piperidinol, 1-(1H-indol-3-yloxoacetyl)-
- DTXSID30992409
-
- Inchi： 1S/C15H16N2O3/c18-10-4-3-7-17(9-10)15(20)14(19)12-8-16-13-6-2-1-5-11(12)13/h1-2,5-6,8,10,16,18H,3-4,7,9H2
- InChI Key： HRQXLXFKMWLFGA-UHFFFAOYSA-N
- SMILES： OC1CN(C(C(C2=CNC3C=CC=CC2=3)=O)=O)CCC1
Computed Properties
- Exact Mass: 272.11618
- Monoisotopic Mass: 272.11609238g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 399
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 1.3
- Topological Polar Surface Area: 73.4?2
Experimental Properties
- Density: 1.377
- Boiling Point: 515.3°C at 760 mmHg
- Flash Point: 265.4°C
- Refractive Index: 1.679
- PSA: 73.4
1,2-Ethanedione,1-(3-hydroxy-1-piperidinyl)-2-(1H-indol-3-yl)- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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