Basic information
- CAS
89707-51-7- Standard SMILES
c1ccc(-c2nc(OCC3CCCCN3)cc3ccccc23)cc1- InChIKey
NLVZNAJMRABIJR-UHFFFAOYSA-N- Molecular formula
- C21H22N2O
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.17321333
Names & identifiers
- Preferred name
- 1-Phenyl-3-(piperidin-2-ylmethoxy)isoquinoline
- IUPAC
- 1-phenyl-3-(piperidin-2-ylmethoxy)isoquinoline
Names & synonyms
89707-51-71-phenyl-3-(piperidin-2-ylmethoxy)isoquinolineDTXSID605357871-Phenyl-3-[(piperidin-2-yl)methoxy]isoquinoline
Database identifiers
- CAS
89707-51-7- PubChem CID
- 13302244
- DTXSID
DTXSID60535787
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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