2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline

C20H20FN3 — CID 9109583

IUPAC2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline
SMILESFc1ccccc1CN1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H20FN3/c21-18-7-3-1-6-17(18)15-23-11-13-24(14-12-23)20-10-9-16-5-2-4-8-19(16)22-20/h1-10H,11-15H2
InChIKeyJVZGSJFEENZCMW-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.70
Rot. Bonds3

About 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline

2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline (PubChem CID 9109583) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline
PubChem CID9109583
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline
SMILESFc1ccccc1CN1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H20FN3/c21-18-7-3-1-6-17(18)15-23-11-13-24(14-12-23)20-10-9-16-5-2-4-8-19(16)22-20/h1-10H,11-15H2
InChIKeyJVZGSJFEENZCMW-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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Related Compounds

2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide
CID 22468029
2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole
CID 17448653
1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 78782251
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270
2-[4-(2-fluorophenyl)piperidin-1-yl]quinoline
CID 174513092
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline
CID 9463976
2-[3-[(4-quinolin-2-ylpiperazin-1-yl)methyl]phenyl]acetaldehyde
CID 88583763
2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol
CID 63309594
[(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
CID 95196902
4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine
CID 163344168
4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 172881564
bis((Z)-but-2-enedioic acid);2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]quinoline
CID 12672138

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline?
The IUPAC name of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline (CID 9109583) is 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline is Fc1ccccc1CN1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline?
The InChIKey is JVZGSJFEENZCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c21-18-7-3-1-6-17(18)15-23-11-13-24(14-12-23)20-10-9-16-5-2-4-8-19(16)22-20/h1-10H,11-15H2.
What are the key properties of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline?
2-[4-[(2-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 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline is sourced from PubChem (CID 9109583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).