5-cyclopropyl-2,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

C13H23F3N2O — CID 64878248

IUPAC5-cyclopropyl-2,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCC1CNC(C)(C2CC2)CN1CCOCC(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-10-7-17-12(2,11-3-4-11)8-18(10)5-6-19-9-13(14,15)16/h10-11,17H,3-9H2,1-2H3
InChIKeyLKGPGXUEPJHHEG-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.03
Rot. Bonds5

About 5-cyclopropyl-2,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

5-cyclopropyl-2,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (PubChem CID 64878248) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-cyclopropyl-2,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
PubChem CID64878248
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name5-cyclopropyl-2,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCC1CNC(C)(C2CC2)CN1CCOCC(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-10-7-17-12(2,11-3-4-11)8-18(10)5-6-19-9-13(14,15)16/h10-11,17H,3-9H2,1-2H3
InChIKeyLKGPGXUEPJHHEG-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The IUPAC name of 5-cyclopropyl-2,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (CID 64878248) is 5-cyclopropyl-2,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.
What is the SMILES notation for 5-cyclopropyl-2,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The canonical SMILES for 5-cyclopropyl-2,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is CC1CNC(C)(C2CC2)CN1CCOCC(F)(F)F.
What is the InChIKey of 5-cyclopropyl-2,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The InChIKey is LKGPGXUEPJHHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-10-7-17-12(2,11-3-4-11)8-18(10)5-6-19-9-13(14,15)16/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 5-cyclopropyl-2,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
5-cyclopropyl-2,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine has a molecular weight of 280.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is sourced from PubChem (CID 64878248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).