Basic information
- CAS
824958-22-7- Standard SMILES
COc1ccccc1N1CCN(CCCC(=O)O)CC1- InChIKey
ZMGWBXYPANQXDV-UHFFFAOYSA-N- Molecular formula
- C15H22N2O3
- Average molar mass
- 278.35 g/mol
- Monoisotopic mass
- 278.16304256
Names & identifiers
- Preferred name
- 1-Piperazinebutanoic acid, 4-(2-methoxyphenyl)-
- IUPAC
- 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoic acid
Names & synonyms
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoic Acid4-(4-(2-Methoxyphenyl)piperazin-1-yl)butanoic acid824958-22-71-Piperazinebutanoic acid, 4-(2-methoxyphenyl)-SCHEMBL1491175DTXSID90462037TQP0321ZMGWBXYPANQXDV-UHFFFAOYSA-NAKOS0092515484-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butanoic acid hydrochloride
Database identifiers
- CAS
824958-22-7- PubChem CID
- 11311981
- DTXSID
DTXSID90462037
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 303
Related reactions
2 records
Compound notes
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