Basic information
- CAS
24269-63-4- Standard SMILES
CCCCN(CCN1CCN(C(=O)OC(C)C)CC1)C1CCCCC1.Cl- InChIKey
QDNQGGJQKYAQSA-UHFFFAOYSA-N- Molecular formula
- C20H40ClN3O2
- Average molar mass
- 390 g/mol
- Monoisotopic mass
- 389.2809052
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, 4-(2-(butylcyclohexylamino)ethyl)-, isopropyl ester, hydrochloride
- IUPAC
- propan-2-yl 4-[2-[butyl(cyclohexyl)amino]ethyl]piperazine-1-carboxylate;hydrochloride
Names & synonyms
24269-63-44-(2-(Butylcyclohexylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochloride1-Piperazinecarboxylic acid, 4-(2-(butylcyclohexylamino)ethyl)-, isopropyl ester, hydrochlorideRefChem:233577DTXSID70947099Propan-2-yl 4-{2-[butyl(cyclohexyl)amino]ethyl}piperazine-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
24269-63-4- PubChem CID
- 212418
- DTXSID
DTXSID70947099
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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