8-[2-(3-fluorophenyl)-2-piperazin-2-ylethyl]quinoline

C21H22FN3 — CID 173122222

IUPAC8-[2-(3-fluorophenyl)-2-piperazin-2-ylethyl]quinoline
SMILESFc1cccc(C(Cc2cccc3cccnc23)C2CNCCN2)c1
InChIInChI=1S/C21H22FN3/c22-18-8-2-5-16(12-18)19(20-14-23-10-11-24-20)13-17-6-1-4-15-7-3-9-25-21(15)17/h1-9,12,19-20,23-24H,10-11,13-14H2
InChIKeyGEYFPEKQGHJYPC-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.26
Rot. Bonds4

About 8-[2-(3-fluorophenyl)-2-piperazin-2-ylethyl]quinoline

8-[2-(3-fluorophenyl)-2-piperazin-2-ylethyl]quinoline (PubChem CID 173122222) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is 8-[2-(3-fluorophenyl)-2-piperazin-2-ylethyl]quinoline.

Molecular Properties

Compound Name8-[2-(3-fluorophenyl)-2-piperazin-2-ylethyl]quinoline
PubChem CID173122222
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC Name8-[2-(3-fluorophenyl)-2-piperazin-2-ylethyl]quinoline
SMILESFc1cccc(C(Cc2cccc3cccnc23)C2CNCCN2)c1
InChIInChI=1S/C21H22FN3/c22-18-8-2-5-16(12-18)19(20-14-23-10-11-24-20)13-17-6-1-4-15-7-3-9-25-21(15)17/h1-9,12,19-20,23-24H,10-11,13-14H2
InChIKeyGEYFPEKQGHJYPC-UHFFFAOYSA-N
XLogP3.26
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-fluorophenyl)-2-piperazin-2-ylethyl]quinoline?
The IUPAC name of 8-[2-(3-fluorophenyl)-2-piperazin-2-ylethyl]quinoline (CID 173122222) is 8-[2-(3-fluorophenyl)-2-piperazin-2-ylethyl]quinoline.
What is the SMILES notation for 8-[2-(3-fluorophenyl)-2-piperazin-2-ylethyl]quinoline?
The canonical SMILES for 8-[2-(3-fluorophenyl)-2-piperazin-2-ylethyl]quinoline is Fc1cccc(C(Cc2cccc3cccnc23)C2CNCCN2)c1.
What is the InChIKey of 8-[2-(3-fluorophenyl)-2-piperazin-2-ylethyl]quinoline?
The InChIKey is GEYFPEKQGHJYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3/c22-18-8-2-5-16(12-18)19(20-14-23-10-11-24-20)13-17-6-1-4-15-7-3-9-25-21(15)17/h1-9,12,19-20,23-24H,10-11,13-14H2.
What are the key properties of 8-[2-(3-fluorophenyl)-2-piperazin-2-ylethyl]quinoline?
8-[2-(3-fluorophenyl)-2-piperazin-2-ylethyl]quinoline has a molecular weight of 335.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-fluorophenyl)-2-piperazin-2-ylethyl]quinoline is sourced from PubChem (CID 173122222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).