Basic information
- CAS
76950-50-0- Standard SMILES
CC1C(C)C(O)(c2ccccc2)CCN1C/C=C/c1ccccc1- InChIKey
JPDCXPCHWUNGHY-FMIVXFBMSA-N- Molecular formula
- C22H27NO
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.20926449
Names & identifiers
- Preferred name
- 4-Piperidinol, 1-cinnamyl-2,3-dimethyl-4-phenyl-
- IUPAC
- 2,3-dimethyl-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol
Names & synonyms
4-Piperidinol, 1-cinnamyl-2,3-dimethyl-4-phenyl-76950-50-0RefChem:1071440BRN 57583571-Cinnamyl-2,3-dimethyl-4-phenyl-4-piperidinol1-Cinnamyl-2,3-dimethyl-4-phenyl-4-hydroxypiperidine
Database identifiers
- CAS
76950-50-0- PubChem CID
- 6447516
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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