1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester
Basic information
- CAS
4218-89-7- Standard SMILES
CCN(CC)CC(C)OC(=O)N1CCN(C)CC1- InChIKey
MVWFAJUGJWUACP-UHFFFAOYSA-N- Molecular formula
- C13H27N3O2
- Average molar mass
- 257.37 g/mol
- Monoisotopic mass
- 257.21032711
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester
- IUPAC
- 1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate
Names & synonyms
1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylateDTXSID9011405694218-89-7[2-(diethylamino)-1-methyl-ethyl] 4-methylpiperazine-1-carboxylate
Database identifiers
- CAS
4218-89-7- PubChem CID
- 515581
- DTXSID
DTXSID901140569
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 249
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Compound notes
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