Indoline, 1-piperidinoacetyl-
Basic information
- CAS
56533-61-0- Standard SMILES
O=C(CN1CCCCC1)N1CCc2ccccc21- InChIKey
FAHNWKWJOSXJNE-UHFFFAOYSA-N- Molecular formula
- C15H20N2O
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.15756327
Names & identifiers
- Preferred name
- Indoline, 1-piperidinoacetyl-
- IUPAC
- 1-(2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone
- English name
- 1-(2,3-Dihydro-indol-1-yl)-2-piperidin-1-yl-ethanone
- Molecular formula
- C15H20N2O
- Molecular weight
- 244.33
Names & synonyms
56533-61-01-PiperidinoacetylindolineINDOLINE, 1-PIPERIDINOACETYL-BRN 1646951DTXSID00205093RefChem:349361DTXCID001275841-(2,3-Dihydro-indol-1-yl)-2-piperidin-1-yl-ethanoneIndocaineIndokain1-(2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanonepiperidinoacetylindoline
Show more names
Ethanone, 1-(2,3-dihydro-1H-indol-1-yl)-2-(1-piperidinyl)-
1-(2,3-dihydro-1H-indol-1-yl)-2-(piperidin-1-yl)ethan-1-oneMLS001201380SCHEMBL56262191-(1-piperidinylacetyl)indolineCHEMBL1603804SCHEMBL29488461HMS1674G06HMS2816G06
Database identifiers
- CAS
56533-61-0- PubChem CID
- 41913
- DTXSID
DTXSID00205093- ChEMBL
CHEMBL1603804- Nikkaji
- J446.455I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Experimental & physicochemical properties
Solubility36.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 124 · 124-125 °C(Solv: hexane (110-54-3))
- Boiling point
- 436.8 · 436.8±38.0 °C(Predicted)
- Density
- 1.139 · 1.139±0.06 g/cm3(Predicted)
- pka
- 7.57 · 7.57±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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