Basic information
- Standard SMILES
COc1c(C(=O)O)cccc1N1CCN(C)CC1- InChIKey
QBUNCTRCLUHADM-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.13174244
Names & identifiers
- Preferred name
- 2-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid
- IUPAC
- 2-methoxy-3-(4-methylpiperazin-1-yl)benzoic acid
Names & synonyms
SCHEMBL9333396QBUNCTRCLUHADM-UHFFFAOYSA-N2-Methoxy-3-(4-methyl-1-piperazinyl)benzoic acid
Database identifiers
- PubChem CID
- 18958746
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
2 records
Compound notes
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