Basic information
- Standard SMILES
CCOC(=O)c1ccc(N2CCN(C)CC2)s1- InChIKey
MVUBDTQMGLCSEY-UHFFFAOYSA-N- Molecular formula
- C12H18N2O2S
- Average molar mass
- 254.35 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-(4-methylpiperazin-1-yl)thiophene-2-carboxylate
- IUPAC
- ethyl 5-(4-methylpiperazin-1-yl)thiophene-2-carboxylate
Names & synonyms
ethyl 5-(4-methylpiperazin-1-yl)thiophene-2-carboxylate1035271-19-2SCHEMBL64634MVUBDTQMGLCSEY-UHFFFAOYSA-NDA-48211
Database identifiers
- PubChem CID
- 57440415
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Related reactions
8 records
Compound notes
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