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

C13H23F3N2O — CID 64860098

IUPAC5-cyclopropyl-2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCCC1CNC(C2CC2)CN1CCOCC(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-2-11-7-17-12(10-3-4-10)8-18(11)5-6-19-9-13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyYLACWNZCOFTMMT-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.03
Rot. Bonds6

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

5-cyclopropyl-2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (PubChem CID 64860098) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
PubChem CID64860098
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name5-cyclopropyl-2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCCC1CNC(C2CC2)CN1CCOCC(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-2-11-7-17-12(10-3-4-10)8-18(11)5-6-19-9-13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyYLACWNZCOFTMMT-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (CID 64860098) is 5-cyclopropyl-2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is CCC1CNC(C2CC2)CN1CCOCC(F)(F)F.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The InChIKey is YLACWNZCOFTMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-2-11-7-17-12(10-3-4-10)8-18(11)5-6-19-9-13(14,15)16/h10-12,17H,2-9H2,1H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
5-cyclopropyl-2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine has a molecular weight of 280.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is sourced from PubChem (CID 64860098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).