2-tert-butyl-5-(2-fluoroethoxy)piperazine

C10H21FN2O — CID 154601169

IUPAC2-tert-butyl-5-(2-fluoroethoxy)piperazine
SMILESCC(C)(C)C1CNC(OCCF)CN1
InChIInChI=1S/C10H21FN2O/c1-10(2,3)8-6-13-9(7-12-8)14-5-4-11/h8-9,12-13H,4-7H2,1-3H3
InChIKeyOZXMANKTAKXLEM-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.91
Rot. Bonds3

About 2-tert-butyl-5-(2-fluoroethoxy)piperazine

2-tert-butyl-5-(2-fluoroethoxy)piperazine (PubChem CID 154601169) has the molecular formula C10H21FN2O and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-fluoroethoxy)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-(2-fluoroethoxy)piperazine
PubChem CID154601169
Molecular FormulaC10H21FN2O
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC Name2-tert-butyl-5-(2-fluoroethoxy)piperazine
SMILESCC(C)(C)C1CNC(OCCF)CN1
InChIInChI=1S/C10H21FN2O/c1-10(2,3)8-6-13-9(7-12-8)14-5-4-11/h8-9,12-13H,4-7H2,1-3H3
InChIKeyOZXMANKTAKXLEM-UHFFFAOYSA-N
XLogP0.91
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-fluoroethoxy)piperazine?
The IUPAC name of 2-tert-butyl-5-(2-fluoroethoxy)piperazine (CID 154601169) is 2-tert-butyl-5-(2-fluoroethoxy)piperazine.
What is the SMILES notation for 2-tert-butyl-5-(2-fluoroethoxy)piperazine?
The canonical SMILES for 2-tert-butyl-5-(2-fluoroethoxy)piperazine is CC(C)(C)C1CNC(OCCF)CN1.
What is the InChIKey of 2-tert-butyl-5-(2-fluoroethoxy)piperazine?
The InChIKey is OZXMANKTAKXLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O/c1-10(2,3)8-6-13-9(7-12-8)14-5-4-11/h8-9,12-13H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(2-fluoroethoxy)piperazine?
2-tert-butyl-5-(2-fluoroethoxy)piperazine has a molecular weight of 204.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-fluoroethoxy)piperazine is sourced from PubChem (CID 154601169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).