Basic information
- CAS
24269-72-5- Standard SMILES
CC(C)CCNCCN1CCN(C(=O)OC(C)C)CC1.Cl- InChIKey
ZAYKHGZMPZHTCG-UHFFFAOYSA-N- Molecular formula
- C15H32ClN3O2
- Average molar mass
- 321.89 g/mol
- Monoisotopic mass
- 321.218305
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, 4-(2-(isopentylamino)ethyl)-, isopropyl ester, hydrochloride
- IUPAC
- propan-2-yl 4-[2-(3-methylbutylamino)ethyl]piperazine-1-carboxylate;hydrochloride
Names & synonyms
24269-72-51-Piperazinecarboxylic acid, 4-(2-(isopentylamino)ethyl)-, isopropyl ester, hydrochloride4-(2-(Isopentylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochlorideDTXSID80178993RefChem:233618DTXCID40101484Propan-2-yl 4-{2-[(3-methylbutyl)amino]ethyl}piperazine-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
24269-72-5- PubChem CID
- 212436
- DTXSID
DTXSID80178993
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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