8-[1-(2-fluorophenyl)-1-piperazin-2-ylethyl]quinoline

C21H22FN3 — CID 173392425

IUPAC8-[1-(2-fluorophenyl)-1-piperazin-2-ylethyl]quinoline
SMILESCC(c1ccccc1F)(c1cccc2cccnc12)C1CNCCN1
InChIInChI=1S/C21H22FN3/c1-21(19-14-23-12-13-24-19,16-8-2-3-10-18(16)22)17-9-4-6-15-7-5-11-25-20(15)17/h2-11,19,23-24H,12-14H2,1H3
InChIKeyZSLMWXXNJIJSHH-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.24
Rot. Bonds3

About 8-[1-(2-fluorophenyl)-1-piperazin-2-ylethyl]quinoline

8-[1-(2-fluorophenyl)-1-piperazin-2-ylethyl]quinoline (PubChem CID 173392425) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is 8-[1-(2-fluorophenyl)-1-piperazin-2-ylethyl]quinoline.

Molecular Properties

Compound Name8-[1-(2-fluorophenyl)-1-piperazin-2-ylethyl]quinoline
PubChem CID173392425
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC Name8-[1-(2-fluorophenyl)-1-piperazin-2-ylethyl]quinoline
SMILESCC(c1ccccc1F)(c1cccc2cccnc12)C1CNCCN1
InChIInChI=1S/C21H22FN3/c1-21(19-14-23-12-13-24-19,16-8-2-3-10-18(16)22)17-9-4-6-15-7-5-11-25-20(15)17/h2-11,19,23-24H,12-14H2,1H3
InChIKeyZSLMWXXNJIJSHH-UHFFFAOYSA-N
XLogP3.24
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-fluorophenyl)-1-piperazin-2-ylethyl]quinoline?
The IUPAC name of 8-[1-(2-fluorophenyl)-1-piperazin-2-ylethyl]quinoline (CID 173392425) is 8-[1-(2-fluorophenyl)-1-piperazin-2-ylethyl]quinoline.
What is the SMILES notation for 8-[1-(2-fluorophenyl)-1-piperazin-2-ylethyl]quinoline?
The canonical SMILES for 8-[1-(2-fluorophenyl)-1-piperazin-2-ylethyl]quinoline is CC(c1ccccc1F)(c1cccc2cccnc12)C1CNCCN1.
What is the InChIKey of 8-[1-(2-fluorophenyl)-1-piperazin-2-ylethyl]quinoline?
The InChIKey is ZSLMWXXNJIJSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3/c1-21(19-14-23-12-13-24-19,16-8-2-3-10-18(16)22)17-9-4-6-15-7-5-11-25-20(15)17/h2-11,19,23-24H,12-14H2,1H3.
What are the key properties of 8-[1-(2-fluorophenyl)-1-piperazin-2-ylethyl]quinoline?
8-[1-(2-fluorophenyl)-1-piperazin-2-ylethyl]quinoline has a molecular weight of 335.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-fluorophenyl)-1-piperazin-2-ylethyl]quinoline is sourced from PubChem (CID 173392425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).