1-(4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamine

C16H20FN5 — CID 51001131

IUPAC1-(4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamine
SMILESNC(CN1CCN(c2cnccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H20FN5/c17-14-3-1-13(2-4-14)15(18)12-21-7-9-22(10-8-21)16-11-19-5-6-20-16/h1-6,11,15H,7-10,12,18H2
InChIKeyQUGKQTWZURQUFO-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.44
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamine

1-(4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamine (PubChem CID 51001131) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamine
PubChem CID51001131
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name1-(4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamine
SMILESNC(CN1CCN(c2cnccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H20FN5/c17-14-3-1-13(2-4-14)15(18)12-21-7-9-22(10-8-21)16-11-19-5-6-20-16/h1-6,11,15H,7-10,12,18H2
InChIKeyQUGKQTWZURQUFO-UHFFFAOYSA-N
XLogP1.44
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamine (CID 51001131) is 1-(4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamine is NC(CN1CCN(c2cnccn2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamine?
The InChIKey is QUGKQTWZURQUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5/c17-14-3-1-13(2-4-14)15(18)12-21-7-9-22(10-8-21)16-11-19-5-6-20-16/h1-6,11,15H,7-10,12,18H2.
What are the key properties of 1-(4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamine?
1-(4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 301.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 51001131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).