3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride

C20H21ClFN3 — CID 120768443

IUPAC3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride
SMILESCl.Fc1cccc(C2CNCCN2Cc2cnc3ccccc3c2)c1
InChIInChI=1S/C20H20FN3.ClH/c21-18-6-3-5-17(11-18)20-13-22-8-9-24(20)14-15-10-16-4-1-2-7-19(16)23-12-15;/h1-7,10-12,20,22H,8-9,13-14H2;1H
InChIKeyVFKODOCDOLSCDR-UHFFFAOYSA-N
MW357.86 g/mol
LogP3.94
Rot. Bonds3

About 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride

3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride (PubChem CID 120768443) has the molecular formula C20H21ClFN3 and a molecular weight of 357.86 g/mol. Its IUPAC name is 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride.

Molecular Properties

Compound Name3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride
PubChem CID120768443
Molecular FormulaC20H21ClFN3
Molecular Weight357.86 g/mol
Exact Mass357.14
IUPAC Name3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride
SMILESCl.Fc1cccc(C2CNCCN2Cc2cnc3ccccc3c2)c1
InChIInChI=1S/C20H20FN3.ClH/c21-18-6-3-5-17(11-18)20-13-22-8-9-24(20)14-15-10-16-4-1-2-7-19(16)23-12-15;/h1-7,10-12,20,22H,8-9,13-14H2;1H
InChIKeyVFKODOCDOLSCDR-UHFFFAOYSA-N
XLogP3.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride
CID 120846546
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 120768428
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 120756562
2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride
CID 120768669
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120846541

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride?
The IUPAC name of 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride (CID 120768443) is 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride.
What is the SMILES notation for 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride?
The canonical SMILES for 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride is Cl.Fc1cccc(C2CNCCN2Cc2cnc3ccccc3c2)c1.
What is the InChIKey of 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride?
The InChIKey is VFKODOCDOLSCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3.ClH/c21-18-6-3-5-17(11-18)20-13-22-8-9-24(20)14-15-10-16-4-1-2-7-19(16)23-12-15;/h1-7,10-12,20,22H,8-9,13-14H2;1H.
What are the key properties of 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride?
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride has a molecular weight of 357.86 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride is sourced from PubChem (CID 120768443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).