Basic information
- CAS
7224-97-7- Standard SMILES
CCC1CN(C(CO)c2ccccc2)CC(CO)C1c1ccccc1- InChIKey
PDYKGRDVDOBKCX-UHFFFAOYSA-N- Molecular formula
- C22H29NO2
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.21982917
Names & identifiers
- Preferred name
- 2-[3-Ethyl-5-(hydroxymethyl)-4-phenylpiperidin-1-yl]-2-phenylethan-1-ol
- IUPAC
- 2-[3-ethyl-5-(hydroxymethyl)-4-phenylpiperidin-1-yl]-2-phenylethanol
Names & synonyms
7224-97-7DTXSID904118632-[3-Ethyl-5-(hydroxymethyl)-4-phenylpiperidin-1-yl]-2-phenylethan-1-ol
Database identifiers
- CAS
7224-97-7- PubChem CID
- 5232016
- DTXSID
DTXSID90411863
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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