2-(Piperidin-1-yl)-2,3-dihydro-1H-indene-2-carbonitrile
Basic information
- CAS
1157984-70-7- Standard SMILES
N#CC1(N2CCCCC2)Cc2ccccc2C1- InChIKey
OTEIRZKSCWXGDQ-UHFFFAOYSA-N- Molecular formula
- C15H18N2
- Average molar mass
- 226.32 g/mol
- Monoisotopic mass
- 226.14699858
Names & identifiers
- Preferred name
- 2-(Piperidin-1-yl)-2,3-dihydro-1H-indene-2-carbonitrile
- IUPAC
- 2-piperidin-1-yl-1,3-dihydroindene-2-carbonitrile
- English name
- 2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carbonitrile
- Molecular formula
- C15H18N2
- Molecular weight
- 226.32
Names & synonyms
1157984-70-72-(Piperidin-1-yl)-2,3-dihydro-1H-indene-2-carbonitrile2-piperidin-1-yl-1,3-dihydroindene-2-carbonitrile1H-Indene-2-carbonitrile, 2,3-dihydro-2-(1-piperidinyl)-DTXSID40656368MFCD120674442-(1-piperidyl)indane-2-carbonitrileAKOS009996006DA-173582-(Piperidin-1-yl);-2,3-dihydro-1H-indene-2-carbonitrile2,3-Dihydro-2-(1-piperidinyl)-1H-indene-2-carbonitrile
Database identifiers
- CAS
1157984-70-7- PubChem CID
- 43809142
- DTXSID
DTXSID40656368
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 383.8 · 383.8±42.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 5.39 · 5.39±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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