2-(4-ethyl-4-fluoropiperazin-4-ium-1-yl)ethanol

C8H18FN2O+ — CID 163682328

IUPAC2-(4-ethyl-4-fluoropiperazin-4-ium-1-yl)ethanol
SMILESCC[N+]1(F)CCN(CCO)CC1
InChIInChI=1S/C8H18FN2O/c1-2-11(9)6-3-10(4-7-11)5-8-12/h12H,2-8H2,1H3/q+1
InChIKeyJLVZNGMZAJDNRB-UHFFFAOYSA-N
MW177.24 g/mol
LogP0.02
Rot. Bonds3

About 2-(4-ethyl-4-fluoropiperazin-4-ium-1-yl)ethanol

2-(4-ethyl-4-fluoropiperazin-4-ium-1-yl)ethanol (PubChem CID 163682328) has the molecular formula C8H18FN2O+ and a molecular weight of 177.24 g/mol. Its IUPAC name is 2-(4-ethyl-4-fluoropiperazin-4-ium-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-ethyl-4-fluoropiperazin-4-ium-1-yl)ethanol
PubChem CID163682328
Molecular FormulaC8H18FN2O+
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name2-(4-ethyl-4-fluoropiperazin-4-ium-1-yl)ethanol
SMILESCC[N+]1(F)CCN(CCO)CC1
InChIInChI=1S/C8H18FN2O/c1-2-11(9)6-3-10(4-7-11)5-8-12/h12H,2-8H2,1H3/q+1
InChIKeyJLVZNGMZAJDNRB-UHFFFAOYSA-N
XLogP0.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-fluoropiperazin-4-ium-1-yl)ethanol?
The IUPAC name of 2-(4-ethyl-4-fluoropiperazin-4-ium-1-yl)ethanol (CID 163682328) is 2-(4-ethyl-4-fluoropiperazin-4-ium-1-yl)ethanol.
What is the SMILES notation for 2-(4-ethyl-4-fluoropiperazin-4-ium-1-yl)ethanol?
The canonical SMILES for 2-(4-ethyl-4-fluoropiperazin-4-ium-1-yl)ethanol is CC[N+]1(F)CCN(CCO)CC1.
What is the InChIKey of 2-(4-ethyl-4-fluoropiperazin-4-ium-1-yl)ethanol?
The InChIKey is JLVZNGMZAJDNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN2O/c1-2-11(9)6-3-10(4-7-11)5-8-12/h12H,2-8H2,1H3/q+1.
What are the key properties of 2-(4-ethyl-4-fluoropiperazin-4-ium-1-yl)ethanol?
2-(4-ethyl-4-fluoropiperazin-4-ium-1-yl)ethanol has a molecular weight of 177.24 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-fluoropiperazin-4-ium-1-yl)ethanol is sourced from PubChem (CID 163682328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).