Basic information
- CAS
24269-59-8- Standard SMILES
CC(C)OC(=O)N1CCN(CCN(C(C)C)C(C)C)CC1.Cl- InChIKey
JTVSGOXLEJOIDX-UHFFFAOYSA-N- Molecular formula
- C16H34ClN3O2
- Average molar mass
- 335.9 g/mol
- Monoisotopic mass
- 335.233955
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, 4-(2-(diisopropylamino)ethyl)-, isopropyl ester, hydrochloride
- IUPAC
- propan-2-yl 4-[2-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate;hydrochloride
Names & synonyms
24269-59-81-Piperazinecarboxylic acid, 4-(2-(diisopropylamino)ethyl)-, isopropyl ester, hydrochloride4-(2-(Diisopropylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochlorideDTXSID30178983RefChem:233608DTXCID90101474Propan-2-yl 4-{2-[di(propan-2-yl)amino]ethyl}piperazine-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
24269-59-8- PubChem CID
- 212410
- DTXSID
DTXSID30178983
Properties
Computed structural properties
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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