Basic information
- Standard SMILES
CN(CCO)C1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1- InChIKey
GMVKLWRKAQVYAY-UHFFFAOYSA-N- Molecular formula
- C15H20N4O3
- Average molar mass
- 304.34 g/mol
Names & identifiers
- Preferred name
- 2-[4-(N-2-hydroxyethyl-N-methylamino) piperidin-1-yl]-5-nitrobenzonitrile
- IUPAC
- 2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-5-nitrobenzonitrile
Names & synonyms
SCHEMBL6052668GMVKLWRKAQVYAY-UHFFFAOYSA-N2-[4-(N-2-hydroxyethyl-N-methylamino) piperidin-1-yl]-5-nitrobenzonitrile
Database identifiers
- PubChem CID
- 17822771
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 422
Related reactions
2 records
Compound notes
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