1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-ethylpiperazine

C17H19BrFN3 — CID 58042059

IUPAC1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-ethylpiperazine
SMILESCCN1CCN(c2cccc(-c3ccc(Br)cc3F)n2)CC1
InChIInChI=1S/C17H19BrFN3/c1-2-21-8-10-22(11-9-21)17-5-3-4-16(20-17)14-7-6-13(18)12-15(14)19/h3-7,12H,2,8-11H2,1H3
InChIKeyYFZCQGFRLHHMCM-UHFFFAOYSA-N
MW364.26 g/mol
LogP3.79
Rot. Bonds3

About 1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-ethylpiperazine

1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-ethylpiperazine (PubChem CID 58042059) has the molecular formula C17H19BrFN3 and a molecular weight of 364.26 g/mol. Its IUPAC name is 1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-ethylpiperazine
PubChem CID58042059
Molecular FormulaC17H19BrFN3
Molecular Weight364.26 g/mol
Exact Mass363.07
IUPAC Name1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-ethylpiperazine
SMILESCCN1CCN(c2cccc(-c3ccc(Br)cc3F)n2)CC1
InChIInChI=1S/C17H19BrFN3/c1-2-21-8-10-22(11-9-21)17-5-3-4-16(20-17)14-7-6-13(18)12-15(14)19/h3-7,12H,2,8-11H2,1H3
InChIKeyYFZCQGFRLHHMCM-UHFFFAOYSA-N
XLogP3.79
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-ethylpiperazine?
The IUPAC name of 1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-ethylpiperazine (CID 58042059) is 1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-ethylpiperazine?
The canonical SMILES for 1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-ethylpiperazine is CCN1CCN(c2cccc(-c3ccc(Br)cc3F)n2)CC1.
What is the InChIKey of 1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-ethylpiperazine?
The InChIKey is YFZCQGFRLHHMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN3/c1-2-21-8-10-22(11-9-21)17-5-3-4-16(20-17)14-7-6-13(18)12-15(14)19/h3-7,12H,2,8-11H2,1H3.
What are the key properties of 1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-ethylpiperazine?
1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-ethylpiperazine has a molecular weight of 364.26 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-ethylpiperazine is sourced from PubChem (CID 58042059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).