Basic information
- Standard SMILES
CC(C)(COc1ccc(C2(C#N)CCOCC2)cc1)CN1CCCC1- InChIKey
AOPNMTBOSWOHPY-UHFFFAOYSA-N- Molecular formula
- C21H30N2O2
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.2307282
Names & identifiers
- Preferred name
- 4-[4-(2,2-Dimethyl-3-pyrrolidin-1-ylpropoxy)phenyl]tetrahydro-pyran-4-carbonitrile
- IUPAC
- 4-[4-(2,2-dimethyl-3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carbonitrile
Names & synonyms
SCHEMBL3271107AOPNMTBOSWOHPY-UHFFFAOYSA-N4-[4-(2,2-Dimethyl-3-pyrrolidin-1-ylpropoxy)phenyl]tetrahydro-pyran-4-carbonitrile
Database identifiers
- PubChem CID
- 59837403
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 462
Related reactions
2 records
Compound notes
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