Basic information
- CAS
24269-62-3- Standard SMILES
CC(C)CN(CCN1CCN(C(=O)OC(C)C)CC1)C(C)C.Cl- InChIKey
BCVXIFXHLRYNIK-UHFFFAOYSA-N- Molecular formula
- C17H36ClN3O2
- Average molar mass
- 349.9 g/mol
- Monoisotopic mass
- 349.2496051
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, 4-(2-(isobutylisopropylamino)ethyl)-, isopropyl ester, hydrochloride
- IUPAC
- propan-2-yl 4-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]piperazine-1-carboxylate;hydrochloride
Names & synonyms
4-(2-(Isobutylisopropylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride24269-62-31-Piperazinecarboxylic acid, 4-(2-(isobutylisopropylamino)ethyl)-, isopropyl ester, hydrochlorideRefChem:233617DTXSID10947098Propan-2-yl 4-{2-[(2-methylpropyl)(propan-2-yl)amino]ethyl}piperazine-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
24269-62-3- PubChem CID
- 212416
- DTXSID
DTXSID10947098
Properties
Computed structural properties
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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