2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine

C11H23FN2 — CID 80695492

IUPAC2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine
SMILESCCC1(CC)CNC(C)CN1CCF
InChIInChI=1S/C11H23FN2/c1-4-11(5-2)9-13-10(3)8-14(11)7-6-12/h10,13H,4-9H2,1-3H3
InChIKeyWRJLJPPZYZHOHV-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.81
Rot. Bonds4

About 2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine

2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine (PubChem CID 80695492) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is 2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine.

Molecular Properties

Compound Name2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine
PubChem CID80695492
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine
SMILESCCC1(CC)CNC(C)CN1CCF
InChIInChI=1S/C11H23FN2/c1-4-11(5-2)9-13-10(3)8-14(11)7-6-12/h10,13H,4-9H2,1-3H3
InChIKeyWRJLJPPZYZHOHV-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine?
The IUPAC name of 2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine (CID 80695492) is 2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine.
What is the SMILES notation for 2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine?
The canonical SMILES for 2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine is CCC1(CC)CNC(C)CN1CCF.
What is the InChIKey of 2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine?
The InChIKey is WRJLJPPZYZHOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2/c1-4-11(5-2)9-13-10(3)8-14(11)7-6-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine?
2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine has a molecular weight of 202.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-(2-fluoroethyl)-5-methylpiperazine is sourced from PubChem (CID 80695492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).