Basic information
- CAS
1261951-16-9- Standard SMILES
N#Cc1cc(O)cc(-c2ccc(C(=O)N3CCCCC3)cc2)c1- InChIKey
AXTSWRPAUJLPBF-UHFFFAOYSA-N- Molecular formula
- C19H18N2O2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.13682782
Names & identifiers
- Preferred name
- 3-Cyano-5-[4-(piperidine-1-carbonyl)phenyl]phenol
- IUPAC
- 3-hydroxy-5-[4-(piperidine-1-carbonyl)phenyl]benzonitrile
Names & synonyms
1261951-16-93-hydroxy-5-[4-(piperidine-1-carbonyl)phenyl]benzonitrileMFCD183145753-CYANO-5-[4-(PIPERIDINE-1-CARBONYL)PHENYL]PHENOLDTXSID806850113-Cyano-5-[4-(piperidine-1-carbonyl)phenyl]phenol, 95%5-Hydroxy-4'-(piperidine-1-carbonyl)[1,1'-biphenyl]-3-carbonitrile
Database identifiers
- CAS
1261951-16-9- PubChem CID
- 53220249
- DTXSID
DTXSID80685011
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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