Piperidine, 1-(2,6-dimethoxybenzyl)-, picrate
Basic information
- CAS
58395-74-7- Standard SMILES
COc1cccc(OC)c1CN1CCCCC1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
ZKHDBLBLBQROEI-UHFFFAOYSA-N- Molecular formula
- C20H24N4O9
- Average molar mass
- 464.4 g/mol
- Monoisotopic mass
- 464.15432836
Names & identifiers
- Preferred name
- Piperidine, 1-(2,6-dimethoxybenzyl)-, picrate
- IUPAC
- 1-[(2,6-dimethoxyphenyl)methyl]piperidine;2,4,6-trinitrophenol
Names & synonyms
Piperidine, 1-(2,6-dimethoxybenzyl)-, picrate1-(2,6-Dimethoxybenzyl)piperidine picrate58395-74-7DTXSID10207104RefChem:372909DTXCID701295952,4,6-Trinitrophenol--1-[(2,6-dimethoxyphenyl)methyl]piperidine (1/1)
Database identifiers
- CAS
58395-74-7- PubChem CID
- 3045222
- DTXSID
DTXSID10207104
Properties
Computed structural properties
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 496
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Compound notes
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