2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine

C16H17F2N3 — CID 120768574

IUPAC2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
SMILESFc1cncc(CN2CCNCC2c2cccc(F)c2)c1
InChIInChI=1S/C16H17F2N3/c17-14-3-1-2-13(7-14)16-10-19-4-5-21(16)11-12-6-15(18)9-20-8-12/h1-3,6-9,16,19H,4-5,10-11H2
InChIKeyONDYKHLNJOMGNA-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.51
Rot. Bonds3

About 2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine

2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine (PubChem CID 120768574) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
PubChem CID120768574
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
SMILESFc1cncc(CN2CCNCC2c2cccc(F)c2)c1
InChIInChI=1S/C16H17F2N3/c17-14-3-1-2-13(7-14)16-10-19-4-5-21(16)11-12-6-15(18)9-20-8-12/h1-3,6-9,16,19H,4-5,10-11H2
InChIKeyONDYKHLNJOMGNA-UHFFFAOYSA-N
XLogP2.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120768443
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
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 120768428
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride
CID 120768669
N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride
CID 120846546
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine?
The IUPAC name of 2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine (CID 120768574) is 2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine is Fc1cncc(CN2CCNCC2c2cccc(F)c2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine?
The InChIKey is ONDYKHLNJOMGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3/c17-14-3-1-2-13(7-14)16-10-19-4-5-21(16)11-12-6-15(18)9-20-8-12/h1-3,6-9,16,19H,4-5,10-11H2.
What are the key properties of 2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine?
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine has a molecular weight of 289.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 120768574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).