4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide

C18H23FN6 — CID 122098433

IUPAC4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide
SMILESCc1cnc(CC/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C18H23FN6/c1-14-12-23-16(13-22-14)6-7-21-18(20)25-10-8-24(9-11-25)17-4-2-15(19)3-5-17/h2-5,12-13H,6-11H2,1H3,(H2,20,21)
InChIKeyQFGFIRXCPIHYJO-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.60
Rot. Bonds4

About 4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide

4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide (PubChem CID 122098433) has the molecular formula C18H23FN6 and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide
PubChem CID122098433
Molecular FormulaC18H23FN6
Molecular Weight342.42 g/mol
Exact Mass342.20
IUPAC Name4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide
SMILESCc1cnc(CC/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C18H23FN6/c1-14-12-23-16(13-22-14)6-7-21-18(20)25-10-8-24(9-11-25)17-4-2-15(19)3-5-17/h2-5,12-13H,6-11H2,1H3,(H2,20,21)
InChIKeyQFGFIRXCPIHYJO-UHFFFAOYSA-N
XLogP1.60
TPSA70.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide (CID 122098433) is 4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide is Cc1cnc(CC/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide?
The InChIKey is QFGFIRXCPIHYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6/c1-14-12-23-16(13-22-14)6-7-21-18(20)25-10-8-24(9-11-25)17-4-2-15(19)3-5-17/h2-5,12-13H,6-11H2,1H3,(H2,20,21).
What are the key properties of 4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide?
4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide has a molecular weight of 342.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide is sourced from PubChem (CID 122098433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).