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

C13H27FN2 — CID 80697736

IUPAC5,5-diethyl-1-(2-fluoroethyl)-2-propylpiperazine
SMILESCCCC1CNC(CC)(CC)CN1CCF
InChIInChI=1S/C13H27FN2/c1-4-7-12-10-15-13(5-2,6-3)11-16(12)9-8-14/h12,15H,4-11H2,1-3H3
InChIKeyJARAVNSXWAZMMQ-UHFFFAOYSA-N
MW230.37 g/mol
LogP2.59
Rot. Bonds6

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

5,5-diethyl-1-(2-fluoroethyl)-2-propylpiperazine (PubChem CID 80697736) has the molecular formula C13H27FN2 and a molecular weight of 230.37 g/mol. Its IUPAC name is 5,5-diethyl-1-(2-fluoroethyl)-2-propylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-(2-fluoroethyl)-2-propylpiperazine
PubChem CID80697736
Molecular FormulaC13H27FN2
Molecular Weight230.37 g/mol
Exact Mass230.22
IUPAC Name5,5-diethyl-1-(2-fluoroethyl)-2-propylpiperazine
SMILESCCCC1CNC(CC)(CC)CN1CCF
InChIInChI=1S/C13H27FN2/c1-4-7-12-10-15-13(5-2,6-3)11-16(12)9-8-14/h12,15H,4-11H2,1-3H3
InChIKeyJARAVNSXWAZMMQ-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 5,5-diethyl-1-(2-fluoroethyl)-2-propylpiperazine?
The IUPAC name of 5,5-diethyl-1-(2-fluoroethyl)-2-propylpiperazine (CID 80697736) is 5,5-diethyl-1-(2-fluoroethyl)-2-propylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-(2-fluoroethyl)-2-propylpiperazine?
The canonical SMILES for 5,5-diethyl-1-(2-fluoroethyl)-2-propylpiperazine is CCCC1CNC(CC)(CC)CN1CCF.
What is the InChIKey of 5,5-diethyl-1-(2-fluoroethyl)-2-propylpiperazine?
The InChIKey is JARAVNSXWAZMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2/c1-4-7-12-10-15-13(5-2,6-3)11-16(12)9-8-14/h12,15H,4-11H2,1-3H3.
What are the key properties of 5,5-diethyl-1-(2-fluoroethyl)-2-propylpiperazine?
5,5-diethyl-1-(2-fluoroethyl)-2-propylpiperazine has a molecular weight of 230.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-(2-fluoroethyl)-2-propylpiperazine is sourced from PubChem (CID 80697736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).