Basic information
- Standard SMILES
N#CC1(c2ccc(OCCCN3CCCCC3)cc2)CCCCC1- InChIKey
OQNNDHLQWCTLQD-UHFFFAOYSA-N- Molecular formula
- C21H30N2O
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.23581359
Names & identifiers
- Preferred name
- 1-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-cyclohexane-carbonitrile
- IUPAC
- 1-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexane-1-carbonitrile
Names & synonyms
SCHEMBL3272315OQNNDHLQWCTLQD-UHFFFAOYSA-N1-[4-(3-piperidin-1-yl-propoxy)-phenyl]-cyclohexane-carbonitrile
Database identifiers
- PubChem CID
- 59837375
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 407
Related reactions
2 records
Compound notes
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