Basic information
- CAS
24269-65-6- Standard SMILES
CC(C)NCCN1CCN(C(=O)OC(C)C)CC1.Cl- InChIKey
FQXSTCZSZWQQHJ-UHFFFAOYSA-N- Molecular formula
- C13H28ClN3O2
- Average molar mass
- 293.83 g/mol
- Monoisotopic mass
- 293.1870048
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, 4-(2-(isopropylamino)ethyl)-, isopropyl ester, hydrochloride
- IUPAC
- propan-2-yl 4-[2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate;hydrochloride
Names & synonyms
24269-65-61-Piperazinecarboxylic acid, 4-(2-(isopropylamino)ethyl)-, isopropyl ester, hydrochloride4-(2-(Isopropylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochlorideDTXSID70178987RefChem:233620DTXCID30101478Propan-2-yl 4-{2-[(propan-2-yl)amino]ethyl}piperazine-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
24269-65-6- PubChem CID
- 212422
- DTXSID
DTXSID70178987
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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