4-[3-(4-Benzylpiperidin-1-yl)-2-hydroxypropyl]phenol
Basic information
- CAS
375856-68-1- Standard SMILES
Oc1ccc(CC(O)CN2CCC(Cc3ccccc3)CC2)cc1- InChIKey
LUKRWTWMHQMEIS-UHFFFAOYSA-N- Molecular formula
- C21H27NO2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.2041791
Names & identifiers
- Preferred name
- 4-[3-(4-Benzylpiperidin-1-yl)-2-hydroxypropyl]phenol
- IUPAC
- 4-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropyl]phenol
Names & synonyms
CHEMBL688314-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropyl]phenolDTXSID801171624BDBM50218774375856-68-1I+/--[(4-Hydroxyphenyl)methyl]-4-(phenylmethyl)-1-piperidineethanol
Database identifiers
- CAS
375856-68-1- PubChem CID
- 44309367
- DTXSID
DTXSID801171624- ChEMBL
CHEMBL68831- Nikkaji
- J1.573.517A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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