3,4-Piperidinediol, 1,3-dimethyl-4-ethyl-6-phenyl-, (3-alpha,4-alpha,6-beta)-
Basic information
- CAS
85866-53-1- Standard SMILES
CC[C@@]1(O)C[C@@H](c2ccccc2)N(C)C[C@]1(C)O- InChIKey
ZMJIRVJCHYCCPR-SOUVJXGZSA-N- Molecular formula
- C15H23NO2
- Average molar mass
- 249.35 g/mol
- Monoisotopic mass
- 249.17287898
Names & identifiers
- Preferred name
- 3,4-Piperidinediol, 1,3-dimethyl-4-ethyl-6-phenyl-, (3-alpha,4-alpha,6-beta)-
- IUPAC
- (3S,4R,6S)-4-ethyl-1,3-dimethyl-6-phenylpiperidine-3,4-diol
- English name
- (3-alpha,4-alpha,6-beta)-1,3-Dimethyl-4-ethyl-6-phenyl-3,4-piperidined iol
- Molecular formula
- C15H23NO2
- Molecular weight
- 249.352
Names & synonyms
85866-53-13,4-Piperidinediol, 1,3-dimethyl-4-ethyl-6-phenyl-, (3-alpha,4-alpha,6-beta)-(3-alpha,4-alpha,6-beta)-1,3-Dimethyl-4-ethyl-6-phenyl-3,4-piperidinediolDTXSID30235146RefChem:271279DTXCID30157637(3S,4R,6S)-4-ethyl-1,3-dimethyl-6-phenylpiperidine-3,4-diol(3-alpha,4-alpha,6-beta)-1,3-Dimethyl-4-ethyl-6-phenyl-3,4-piperidined iol
Database identifiers
- CAS
85866-53-1- PubChem CID
- 3070128
- DTXSID
DTXSID30235146
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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