1H-Indole-2-carboxylic acid, 5-methoxy-3-(1-piperidinylazo)-, ethyl ester
Basic information
- CAS
89607-75-0- Standard SMILES
CCOC(=O)c1[nH]c2ccc(OC)cc2c1N=NN1CCCCC1- InChIKey
PTNIRRNZXYFBBR-UHFFFAOYSA-N- Molecular formula
- C17H22N4O3
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.16919058
Names & identifiers
- Preferred name
- 1H-Indole-2-carboxylic acid, 5-methoxy-3-(1-piperidinylazo)-, ethyl ester
- IUPAC
- ethyl 5-methoxy-3-(piperidin-1-yldiazenyl)-1H-indole-2-carboxylate
Names & synonyms
89607-75-01H-Indole-2-carboxylic acid, 5-methoxy-3-(1-piperidinylazo)-, ethyl esterOprea1_110552DTXSID60425311STK375310AKOS005447992(E)-ethyl 5-methoxy-3-(piperidin-1-yldiazenyl)-1H-indole-2-carboxylateethyl 5-methoxy-3-[(E)-piperidin-1-yldiazenyl]-1H-indole-2-carboxylateEthyl 5-methoxy-3-[2-(piperidin-1-yl)hydrazinylidene]-3H-indole-2-carboxylate
Database identifiers
- CAS
89607-75-0- PubChem CID
- 915411
- DTXSID
DTXSID60425311
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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