Basic information
- Standard SMILES
N#CC1(c2cccc(OCCCN3CCCC3)c2)CCOCC1- InChIKey
DQRNBUNZEWODHC-UHFFFAOYSA-N- Molecular formula
- C19H26N2O2
- Average molar mass
- 314.4 g/mol
Names & identifiers
- Preferred name
- 4-[3-(3-Pyrrolidin-1-ylpropoxy)phenyl]tetrahydropyran-4-carbonitrile
- IUPAC
- 4-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carbonitrile
Names & synonyms
SCHEMBL3271515DQRNBUNZEWODHC-UHFFFAOYSA-N4-[3-(3-Pyrrolidin-1-ylpropoxy)phenyl]tetrahydropyran-4-carbonitrile
Database identifiers
- PubChem CID
- 59837482
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 405
Related reactions
2 records
Compound notes
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