4-[2-(4-Aminomethylpiperidin-1-yl)ethyl]phenyl 9-acridinecarboxylate
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Basic information
- Standard SMILES
NCC1CCN(CCc2ccc(OC(=O)c3c4ccccc4nc4ccccc34)cc2)CC1- InChIKey
FWHNOJAONCVJSB-UHFFFAOYSA-N- Molecular formula
- C28H29N3O2
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.22597718
Names & identifiers
- Preferred name
- 4-[2-(4-Aminomethylpiperidin-1-yl)ethyl]phenyl 9-acridinecarboxylate
- IUPAC
- [4-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]phenyl] acridine-9-carboxylate
Names & synonyms
SCHEMBL7893003FWHNOJAONCVJSB-UHFFFAOYSA-N4-[2-(4-aminomethylpiperidin-1-yl)ethyl]phenyl 9-acridinecarboxylate
Database identifiers
- PubChem CID
- 15895751
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 605
Related reactions
1 records
Compound notes
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