Basic information
- CAS
24269-80-5- Standard SMILES
CCCN(CCN1CCN(C(=O)OCC(C)C)CC1)C1CCCCC1.Cl- InChIKey
SEDJFOGDKKTUMG-UHFFFAOYSA-N- Molecular formula
- C20H40ClN3O2
- Average molar mass
- 390 g/mol
- Monoisotopic mass
- 389.2809052
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, 4-(2-(cyclohexylpropylamino)ethyl)-, isobutyl ester, hydrochloride
- IUPAC
- 2-methylpropyl 4-[2-[cyclohexyl(propyl)amino]ethyl]piperazine-1-carboxylate;hydrochloride
Names & synonyms
24269-80-51-Piperazinecarboxylic acid, 4-(2-(cyclohexylpropylamino)ethyl)-, isobutyl ester, hydrochloride4-(2-(Cyclohexylpropylamino)ethyl)-1-piperazinecarboxylic acid isobutyl ester hydrochlorideDTXSID40178999RefChem:233589DTXCID501014902-Methylpropyl 4-{2-[cyclohexyl(propyl)amino]ethyl}piperazine-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
24269-80-5- PubChem CID
- 212450
- DTXSID
DTXSID40178999
Properties
Computed structural properties
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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