(3R,4R)-1-ethyl-3-methyl-4-phenylpiperidine
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Basic information
- CAS
766447-27-2- Standard SMILES
CCN1CC[C@@H](c2ccccc2)[C@@H](C)C1- InChIKey
FSXXSICSICILAI-GXTWGEPZSA-N- Molecular formula
- C14H21N
- Average molar mass
- 203.32 g/mol
- Monoisotopic mass
- 203.16739967
Names & identifiers
- Preferred name
- (3R,4R)-1-ethyl-3-methyl-4-phenylpiperidine
- IUPAC
- (3R,4R)-1-ethyl-3-methyl-4-phenylpiperidine
- English name
- Piperidine, 1-ethyl-3-methyl-4-phenyl-, cis- (9CI)
- Molecular formula
- C14H21N
- Molecular weight
- 203.32
Names & synonyms
766447-27-2Piperidine, 1-ethyl-3-methyl-4-phenyl-, cis- (9CI)Piperidine, 1-ethyl-3-methyl-4-phenyl-, (3R,4R)-rel-
Database identifiers
- CAS
766447-27-2- PubChem CID
- 45094678
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 283.2 · 283.2±29.0 °C(Predicted)
- Density
- 0.927 · 0.927±0.06 g/cm3(Predicted)
- pka
- 9.83 · 9.83±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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