3-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

C12H23F3N2O — CID 64833824

IUPAC3-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCC(C)(C)C1CN(CCOCC(F)(F)F)CCN1
InChIInChI=1S/C12H23F3N2O/c1-11(2,3)10-8-17(5-4-16-10)6-7-18-9-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyPUIKJBMZLKZVOL-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds4

About 3-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

3-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (PubChem CID 64833824) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.

Molecular Properties

Compound Name3-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
PubChem CID64833824
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name3-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCC(C)(C)C1CN(CCOCC(F)(F)F)CCN1
InChIInChI=1S/C12H23F3N2O/c1-11(2,3)10-8-17(5-4-16-10)6-7-18-9-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyPUIKJBMZLKZVOL-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
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 3-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The IUPAC name of 3-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (CID 64833824) is 3-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.
What is the SMILES notation for 3-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The canonical SMILES for 3-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is CC(C)(C)C1CN(CCOCC(F)(F)F)CCN1.
What is the InChIKey of 3-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The InChIKey is PUIKJBMZLKZVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-11(2,3)10-8-17(5-4-16-10)6-7-18-9-12(13,14)15/h10,16H,4-9H2,1-3H3.
What are the key properties of 3-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
3-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine has a molecular weight of 268.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is sourced from PubChem (CID 64833824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).