Basic information
- Standard SMILES
COc1ccccc1N1CCN(CCCOC(=O)C23CC4CC(CC2C4)C3)CC1- InChIKey
RGPJWFVZQAQTCB-UHFFFAOYSA-N- Molecular formula
- C24H34N2O3
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- Hexahydro-2,5-methanopentalene-3a[1H]carboxylic acid 3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl ester
- IUPAC
- 3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl tricyclo[3.3.1.03,7]nonane-3-carboxylate
Names & synonyms
SCHEMBL10574726RGPJWFVZQAQTCB-UHFFFAOYSA-NL003599Hexahydro-2,5-methanopentalene-3a[1H]carboxylic acid 3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl ester
Database identifiers
- PubChem CID
- 14877871
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 575
Related reactions
2 records
Compound notes
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