1-[(2-Hydroxy-5-nitrophenyl)methyl]-4-phenylpiperidin-4-ol
Basic information
- CAS
77726-08-0- Standard SMILES
O=[N+]([O-])c1ccc(O)c(CN2CCC(O)(c3ccccc3)CC2)c1- InChIKey
RWOBIMONSFQVQE-UHFFFAOYSA-N- Molecular formula
- C18H20N2O4
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.14230712
Names & identifiers
- Preferred name
- 1-[(2-Hydroxy-5-nitrophenyl)methyl]-4-phenylpiperidin-4-ol
- IUPAC
- 1-[(2-hydroxy-5-nitrophenyl)methyl]-4-phenylpiperidin-4-ol
Names & synonyms
77726-08-01-[(2-hydroxy-5-nitrophenyl)methyl]-4-phenylpiperidin-4-olNSC277486DTXSID50313798NSC-277486DS-0085051-[(2-hydroxy-5-nitro-phenyl)methyl]-4-phenyl-piperidin-4-ol
Database identifiers
- CAS
77726-08-0- PubChem CID
- 321999
- DTXSID
DTXSID50313798
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…