2-cyclopropyl-2,5,5-trimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine

C15H27F3N2O — CID 64843452

IUPAC2-cyclopropyl-2,5,5-trimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESCC1(C)CN(CCCOCC(F)(F)F)C(C)(C2CC2)CN1
InChIInChI=1S/C15H27F3N2O/c1-13(2)10-20(7-4-8-21-11-15(16,17)18)14(3,9-19-13)12-5-6-12/h12,19H,4-11H2,1-3H3
InChIKeyUURZIPPGELVHFE-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.81
Rot. Bonds6

About 2-cyclopropyl-2,5,5-trimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine

2-cyclopropyl-2,5,5-trimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine (PubChem CID 64843452) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-cyclopropyl-2,5,5-trimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine.

Molecular Properties

Compound Name2-cyclopropyl-2,5,5-trimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
PubChem CID64843452
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name2-cyclopropyl-2,5,5-trimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESCC1(C)CN(CCCOCC(F)(F)F)C(C)(C2CC2)CN1
InChIInChI=1S/C15H27F3N2O/c1-13(2)10-20(7-4-8-21-11-15(16,17)18)14(3,9-19-13)12-5-6-12/h12,19H,4-11H2,1-3H3
InChIKeyUURZIPPGELVHFE-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.81
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 2-cyclopropyl-2,5,5-trimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The IUPAC name of 2-cyclopropyl-2,5,5-trimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine (CID 64843452) is 2-cyclopropyl-2,5,5-trimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine.
What is the SMILES notation for 2-cyclopropyl-2,5,5-trimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The canonical SMILES for 2-cyclopropyl-2,5,5-trimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine is CC1(C)CN(CCCOCC(F)(F)F)C(C)(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-2,5,5-trimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The InChIKey is UURZIPPGELVHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-13(2)10-20(7-4-8-21-11-15(16,17)18)14(3,9-19-13)12-5-6-12/h12,19H,4-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-2,5,5-trimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
2-cyclopropyl-2,5,5-trimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine has a molecular weight of 308.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2,5,5-trimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine is sourced from PubChem (CID 64843452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).