5-(4-Methylpiperidin-1-yl)-2-nitrophenol
Completing data — refresh the page later to see the latest
Basic information
- CAS
175135-21-4- Standard SMILES
CC1CCN(c2ccc([N+](=O)[O-])c(O)c2)CC1- InChIKey
XLBYPCXKNAUCKD-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609238
Names & identifiers
- Preferred name
- 5-(4-Methylpiperidin-1-yl)-2-nitrophenol
- IUPAC
- 5-(4-methylpiperidin-1-yl)-2-nitrophenol
- English name
- N-(3-HYDROXY-4-NITROPHENYL)-4-METHYLPIPERIDINE
- Molecular formula
- C12H16N2O3
- Molecular weight
- 236.27
Names & synonyms
175135-21-45-(4-methylpiperidin-1-yl)-2-nitrophenolDTXSID30384067RefChem:300085DTXCID50335091N-(3-HYDROXY-4-NITROPHENYL)-4-METHYLPIPERIDINEPhenol,5-(4-methyl-1-piperidinyl)-2-nitro-Oprea1_3429155-(4-methylpiperidino)-2-nitrophenolPhenol, 5-(4-methyl-1-piperidinyl)-2-nitro-
Database identifiers
- CAS
175135-21-4- PubChem CID
- 2799400
- DTXSID
DTXSID30384067
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 398.5 · 398.5±32.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- pka
- 8.12 · 8.12±0.13(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…