2-Ethyl-2-(4-methylpiperazin-1-yl)butanoic acid
Basic information
- CAS
898387-30-9- Standard SMILES
CCC(CC)(C(=O)O)N1CCN(C)CC1- InChIKey
RTMDJLFNMZBLSF-UHFFFAOYSA-N- Molecular formula
- C11H22N2O2
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.16812795
Names & identifiers
- Preferred name
- 2-Ethyl-2-(4-methylpiperazin-1-yl)butanoic acid
- IUPAC
- 2-ethyl-2-(4-methylpiperazin-1-yl)butanoic acid
Names & synonyms
DTXSID201259846AKOS0105985282-ethyl-2-(4-methylpiperazin-1-yl)butanoic acidI+/-,I+/--Diethyl-4-methyl-1-piperazineacetic acid898387-30-9
Database identifiers
- CAS
898387-30-9- PubChem CID
- 61343100
- DTXSID
DTXSID201259846
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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