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

C14H25F3N2O — CID 64875956

IUPAC5-cyclopropyl-2-ethyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCCC1CNC(C)(C2CC2)CN1CCOCC(F)(F)F
InChIInChI=1S/C14H25F3N2O/c1-3-12-8-18-13(2,11-4-5-11)9-19(12)6-7-20-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3
InChIKeyIRCJXLOGCBXOTG-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.42
Rot. Bonds6

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

5-cyclopropyl-2-ethyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (PubChem CID 64875956) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
PubChem CID64875956
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name5-cyclopropyl-2-ethyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCCC1CNC(C)(C2CC2)CN1CCOCC(F)(F)F
InChIInChI=1S/C14H25F3N2O/c1-3-12-8-18-13(2,11-4-5-11)9-19(12)6-7-20-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3
InChIKeyIRCJXLOGCBXOTG-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.42
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-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (CID 64875956) is 5-cyclopropyl-2-ethyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is CCC1CNC(C)(C2CC2)CN1CCOCC(F)(F)F.
What is the InChIKey of 5-cyclopropyl-2-ethyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The InChIKey is IRCJXLOGCBXOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-3-12-8-18-13(2,11-4-5-11)9-19(12)6-7-20-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-ethyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
5-cyclopropyl-2-ethyl-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine has a molecular weight of 294.36 g/mol, XLogP of 2.42, 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-5-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is sourced from PubChem (CID 64875956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).