Basic information
- Standard SMILES
CCC1(C(=O)OC)CN(C(=O)OC(C)(C)C)CCN1- InChIKey
JEQUWGXTMMZYSI-UHFFFAOYSA-N- Molecular formula
- C13H24N2O4
- Average molar mass
- 272.34 g/mol
- Monoisotopic mass
- 272.17360725
Names & identifiers
- Preferred name
- 1-Tert-butyl 3-methyl 3-ethylpiperazine-1,3-dicarboxylate
- IUPAC
- 1-O-tert-butyl 3-O-methyl 3-ethylpiperazine-1,3-dicarboxylate
Names & synonyms
1-tert-butyl 3-methyl 3-ethylpiperazine-1,3-dicarboxylate1313517-79-1SCHEMBL1288423JEQUWGXTMMZYSI-UHFFFAOYSA-NDB-103335
Database identifiers
- PubChem CID
- 66979256
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Related reactions
3 records
Compound notes
Loading…