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

C13H27FN2 — CID 80696303

IUPAC2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine
SMILESCCC1(CC)CN(CCF)C(C)(CC)CN1
InChIInChI=1S/C13H27FN2/c1-5-12(4)10-15-13(6-2,7-3)11-16(12)9-8-14/h15H,5-11H2,1-4H3
InChIKeyXBEWMXQRZOUWAJ-UHFFFAOYSA-N
MW230.37 g/mol
LogP2.59
Rot. Bonds5

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

2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine (PubChem CID 80696303) has the molecular formula C13H27FN2 and a molecular weight of 230.37 g/mol. Its IUPAC name is 2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine.

Molecular Properties

Compound Name2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine
PubChem CID80696303
Molecular FormulaC13H27FN2
Molecular Weight230.37 g/mol
Exact Mass230.22
IUPAC Name2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine
SMILESCCC1(CC)CN(CCF)C(C)(CC)CN1
InChIInChI=1S/C13H27FN2/c1-5-12(4)10-15-13(6-2,7-3)11-16(12)9-8-14/h15H,5-11H2,1-4H3
InChIKeyXBEWMXQRZOUWAJ-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine?
The IUPAC name of 2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine (CID 80696303) is 2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine.
What is the SMILES notation for 2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine?
The canonical SMILES for 2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine is CCC1(CC)CN(CCF)C(C)(CC)CN1.
What is the InChIKey of 2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine?
The InChIKey is XBEWMXQRZOUWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2/c1-5-12(4)10-15-13(6-2,7-3)11-16(12)9-8-14/h15H,5-11H2,1-4H3.
What are the key properties of 2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine?
2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine has a molecular weight of 230.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine is sourced from PubChem (CID 80696303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).