Basic information
- Standard SMILES
OC1(c2cncc3ccccc23)CCN(CCCOc2cccc3[nH]ccc23)CC1- InChIKey
WLPHXARRCZHDFQ-UHFFFAOYSA-N- Molecular formula
- C25H27N3O2
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.21032711
Names & identifiers
- Preferred name
- 1-(3-(Indol-4-yloxy)prop-1-yl)-4-hydroxy-4-(isoquinolin-4-yl)piperidine
- IUPAC
- 1-[3-(1H-indol-4-yloxy)propyl]-4-isoquinolin-4-ylpiperidin-4-ol
Names & synonyms
SCHEMBL7962445WLPHXARRCZHDFQ-UHFFFAOYSA-N1-(3-(indol-4-yloxy)prop-1-yl)-4-hydroxy-4-(isoquinolin-4-yl)piperidine
Database identifiers
- PubChem CID
- 15523993
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 551
Related reactions
2 records
Compound notes
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