3-(2-Nitrophenyl)-1-phenyl-2,3-di(piperidin-1-yl)propan-1-one
Basic information
- CAS
5443-69-6- Standard SMILES
O=C(c1ccccc1)C(C(c1ccccc1[N+](=O)[O-])N1CCCCC1)N1CCCCC1- InChIKey
KCEDGJCNSXBJOR-UHFFFAOYSA-N- Molecular formula
- C25H31N3O3
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.23654186
Names & identifiers
- Preferred name
- 3-(2-Nitrophenyl)-1-phenyl-2,3-di(piperidin-1-yl)propan-1-one
- IUPAC
- 3-(2-nitrophenyl)-1-phenyl-2,3-di(piperidin-1-yl)propan-1-one
Names & synonyms
5443-69-63-(2-nitrophenyl)-1-phenyl-2,3-di(piperidin-1-yl)propan-1-oneNSC19839DTXSID00281034NSC-19839
Database identifiers
- CAS
5443-69-6- PubChem CID
- 227782
- DTXSID
DTXSID00281034
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 589
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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