Basic information
- Standard SMILES
O=C(O)CCCN1CCN(c2cccc(Cl)c2Cl)CC1- InChIKey
MDNSWIUFLQZTIH-UHFFFAOYSA-N- Molecular formula
- C14H18Cl2N2O2
- Average molar mass
- 317.2 g/mol
Names & identifiers
- Preferred name
- 4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butanoic acid
- IUPAC
- 4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butanoic acid
Names & synonyms
SCHEMBL1491196MDNSWIUFLQZTIH-UHFFFAOYSA-N4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butanoic acid
Database identifiers
- PubChem CID
- 57420170
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Related reactions
2 records
Compound notes
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