tert-butyl 1-(2-fluoroethyl)piperazine-2-carboxylate

C11H21FN2O2 — CID 141072887

IUPACtert-butyl 1-(2-fluoroethyl)piperazine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CNCCN1CCF
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)9-8-13-5-7-14(9)6-4-12/h9,13H,4-8H2,1-3H3
InChIKeyCGTRFWDFGFGWTC-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.57
Rot. Bonds3

About tert-butyl 1-(2-fluoroethyl)piperazine-2-carboxylate

tert-butyl 1-(2-fluoroethyl)piperazine-2-carboxylate (PubChem CID 141072887) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is tert-butyl 1-(2-fluoroethyl)piperazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(2-fluoroethyl)piperazine-2-carboxylate
PubChem CID141072887
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Nametert-butyl 1-(2-fluoroethyl)piperazine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CNCCN1CCF
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)9-8-13-5-7-14(9)6-4-12/h9,13H,4-8H2,1-3H3
InChIKeyCGTRFWDFGFGWTC-UHFFFAOYSA-N
XLogP0.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(2-fluoroethyl)piperazine-2-carboxylate?
The IUPAC name of tert-butyl 1-(2-fluoroethyl)piperazine-2-carboxylate (CID 141072887) is tert-butyl 1-(2-fluoroethyl)piperazine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-(2-fluoroethyl)piperazine-2-carboxylate?
The canonical SMILES for tert-butyl 1-(2-fluoroethyl)piperazine-2-carboxylate is CC(C)(C)OC(=O)C1CNCCN1CCF.
What is the InChIKey of tert-butyl 1-(2-fluoroethyl)piperazine-2-carboxylate?
The InChIKey is CGTRFWDFGFGWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)9-8-13-5-7-14(9)6-4-12/h9,13H,4-8H2,1-3H3.
What are the key properties of tert-butyl 1-(2-fluoroethyl)piperazine-2-carboxylate?
tert-butyl 1-(2-fluoroethyl)piperazine-2-carboxylate has a molecular weight of 232.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(2-fluoroethyl)piperazine-2-carboxylate is sourced from PubChem (CID 141072887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).