1-[4-(p-Fluorophenyl)-4-hydroxy-2-butynyl]-4-(p-chlorophenyl)-4-hydroxypiperidine
Basic information
- Standard SMILES
OC(C#CCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1- InChIKey
DYGGZVARYGBQSK-UHFFFAOYSA-N- Molecular formula
- C21H21ClFNO2
- Average molar mass
- 373.8 g/mol
- Monoisotopic mass
- 373.1244848
Names & identifiers
- Preferred name
- 1-[4-(p-Fluorophenyl)-4-hydroxy-2-butynyl]-4-(p-chlorophenyl)-4-hydroxypiperidine
- IUPAC
- 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybut-2-ynyl]piperidin-4-ol
Names & synonyms
SCHEMBL11711573DYGGZVARYGBQSK-UHFFFAOYSA-N1-[4-(p-fluorophenyl)-4-hydroxy-2-butynyl]-4-(p-chlorophenyl)-4-hydroxypiperidine
Database identifiers
- PubChem CID
- 13277366
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 507
Related reactions
4 records
Compound notes
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