Basic information
- CAS
24269-74-7- Standard SMILES
CC(C)OC(=O)N1CCN(CCNC2CCCCC2)CC1.Cl- InChIKey
KYEJYJOHCYTYFO-UHFFFAOYSA-N- Molecular formula
- C16H32ClN3O2
- Average molar mass
- 333.9 g/mol
- Monoisotopic mass
- 333.218305
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, 4-(2-(cyclohexylamino)ethyl)-, isopropyl ester, hydrochloride
- IUPAC
- propan-2-yl 4-[2-(cyclohexylamino)ethyl]piperazine-1-carboxylate;hydrochloride
Names & synonyms
24269-74-71-Piperazinecarboxylic acid, 4-(2-(cyclohexylamino)ethyl)-, isopropyl ester, hydrochloride4-(2-(Cyclohexylamino)ethyl)-1-piperazinecarboxylic acid isopropyl ester hydrochlorideDTXSID40178994RefChem:233586DTXCID00101485Propan-2-yl 4-[2-(cyclohexylamino)ethyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
24269-74-7- PubChem CID
- 212440
- DTXSID
DTXSID40178994
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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