3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline

C20H20FN3 — CID 174498519

IUPAC3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline
SMILESFc1ccc(CN2CCN(c3cnc4ccccc4c3)CC2)cc1
InChIInChI=1S/C20H20FN3/c21-18-7-5-16(6-8-18)15-23-9-11-24(12-10-23)19-13-17-3-1-2-4-20(17)22-14-19/h1-8,13-14H,9-12,15H2
InChIKeyCAGYBXLKGXVEKZ-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.70
Rot. Bonds3

About 3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline

3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline (PubChem CID 174498519) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline
PubChem CID174498519
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline
SMILESFc1ccc(CN2CCN(c3cnc4ccccc4c3)CC2)cc1
InChIInChI=1S/C20H20FN3/c21-18-7-5-16(6-8-18)15-23-9-11-24(12-10-23)19-13-17-3-1-2-4-20(17)22-14-19/h1-8,13-14H,9-12,15H2
InChIKeyCAGYBXLKGXVEKZ-UHFFFAOYSA-N
XLogP3.70
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline?
The IUPAC name of 3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline (CID 174498519) is 3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline.
What is the SMILES notation for 3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline?
The canonical SMILES for 3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline is Fc1ccc(CN2CCN(c3cnc4ccccc4c3)CC2)cc1.
What is the InChIKey of 3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline?
The InChIKey is CAGYBXLKGXVEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c21-18-7-5-16(6-8-18)15-23-9-11-24(12-10-23)19-13-17-3-1-2-4-20(17)22-14-19/h1-8,13-14H,9-12,15H2.
What are the key properties of 3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline?
3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline has a molecular weight of 321.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline is sourced from PubChem (CID 174498519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).