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

C15H29F3N2O — CID 64862346

IUPAC2,5,5-triethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESCCC1CNC(CC)(CC)CN1CCCOCC(F)(F)F
InChIInChI=1S/C15H29F3N2O/c1-4-13-10-19-14(5-2,6-3)11-20(13)8-7-9-21-12-15(16,17)18/h13,19H,4-12H2,1-3H3
InChIKeyNQRXTQUATKDEMY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.20
Rot. Bonds8

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

2,5,5-triethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine (PubChem CID 64862346) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2,5,5-triethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine.

Molecular Properties

Compound Name2,5,5-triethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
PubChem CID64862346
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name2,5,5-triethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESCCC1CNC(CC)(CC)CN1CCCOCC(F)(F)F
InChIInChI=1S/C15H29F3N2O/c1-4-13-10-19-14(5-2,6-3)11-20(13)8-7-9-21-12-15(16,17)18/h13,19H,4-12H2,1-3H3
InChIKeyNQRXTQUATKDEMY-UHFFFAOYSA-N
XLogP3.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.20
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 2,5,5-triethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The IUPAC name of 2,5,5-triethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine (CID 64862346) is 2,5,5-triethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine.
What is the SMILES notation for 2,5,5-triethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The canonical SMILES for 2,5,5-triethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine is CCC1CNC(CC)(CC)CN1CCCOCC(F)(F)F.
What is the InChIKey of 2,5,5-triethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The InChIKey is NQRXTQUATKDEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-4-13-10-19-14(5-2,6-3)11-20(13)8-7-9-21-12-15(16,17)18/h13,19H,4-12H2,1-3H3.
What are the key properties of 2,5,5-triethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
2,5,5-triethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine has a molecular weight of 310.40 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine is sourced from PubChem (CID 64862346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).