Basic information
- Standard SMILES
COC(=O)c1ccc(Br)c(CN2CCC(c3c[nH]c4ccccc34)CC2)c1- InChIKey
FUWRZLAWLQTKQR-UHFFFAOYSA-N- Molecular formula
- C22H23BrN2O2
- Average molar mass
- 427.3 g/mol
Names & identifiers
- Preferred name
- 4-bromo-3-[4-(1H-indol-3-yl)-piperidin-1-ylmethyl]-benzoic acid methyl ester
- IUPAC
- methyl 4-bromo-3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate
Names & synonyms
SCHEMBL5344869FUWRZLAWLQTKQR-UHFFFAOYSA-N4-bromo-3-[4-(1H-indol-3-yl)-piperidin-1-ylmethyl]-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 69412467
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 509
Related reactions
3 records
Compound notes
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