1-Piperazinecarboxylic acid, 4-(2-(cyclohexylisobutylamino)ethyl)-, isopropyl ester, hydrochloride

HCID 212420

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 24269-64-5
Standard SMILES: CC(C)CN(CCN1CCN(C(=O)OC(C)C)CC1)C1CCCCC1.Cl
InChIKey: NCSKHPNTJRCFDS-UHFFFAOYSA-N
Molecular formula: C20H40ClN3O2
Average molar mass: 390 g/mol
Monoisotopic mass: 389.2809052

Names & identifiers

Preferred name: 1-Piperazinecarboxylic acid, 4-(2-(cyclohexylisobutylamino)ethyl)-, isopropyl ester, hydrochloride
IUPAC: propan-2-yl 4-[2-[cyclohexyl(2-methylpropyl)amino]ethyl]piperazine-1-carboxylate;hydrochloride

Names & synonyms

1-Piperazinecarboxylic acid, 4-(2-(cyclohexylisobutylamino)ethyl)-, isopropyl ester, hydrochloride24269-64-5DTXSID10178986RefChem:233587DTXCID70101477Propan-2-yl 4-{2-[cyclohexyl(2-methylpropyl)amino]ethyl}piperazine-1-carboxylate--hydrogen chloride (1/1)

Database identifiers

CAS: 24269-64-5
PubChem CID: 212420
DTXSID: DTXSID10178986

Properties

Computed structural properties

Topological polar surface area: 36 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 386

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…