Basic information
- CAS
500294-64-4- Standard SMILES
Cc1cccc(N2CCN(CCC(=O)O)CC2)c1- InChIKey
GDDMWIBZSURPKZ-UHFFFAOYSA-N- Molecular formula
- C14H20N2O2
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.15247789
Names & identifiers
- Preferred name
- 3-[4-(3-Methylphenyl)piperazin-1-yl]propanoic acid
- IUPAC
- 3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
- English name
- 3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
- Molecular formula
- C14H20N2O2
- Molecular weight
- 248.32
Names & synonyms
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid500294-64-43-(4-(m-Tolyl)piperazin-1-yl)propanoic acidNSC87118NCIOpen2_005299DTXSID60293077NSC-87118AKOS003590952CCG-294212DB-262076CS-0280493EN300-33536
Show more names
OTAVA-BB 70206635751-Piperazinepropanoic acid, 4-(3-methylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid(SALTDATA: H2O)
3-[4-(3-Methylphenyl)piperazin-1-yl ]propanoic acidZ197480068
Database identifiers
- CAS
500294-64-4- PubChem CID
- 258317
- DTXSID
DTXSID60293077
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Chemistry & industry
Suppliers2 total
CHEMBRDG-BB[email protected]
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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