1-[6-(4-bromo-2-fluorophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine

C18H21BrFN3 — CID 58042092

IUPAC1-[6-(4-bromo-2-fluorophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine
SMILESCCN1CCN(c2ccc(C)c(-c3ccc(Br)cc3F)n2)CC1
InChIInChI=1S/C18H21BrFN3/c1-3-22-8-10-23(11-9-22)17-7-4-13(2)18(21-17)15-6-5-14(19)12-16(15)20/h4-7,12H,3,8-11H2,1-2H3
InChIKeyRIMJKBQBKXXZNQ-UHFFFAOYSA-N
MW378.29 g/mol
LogP4.10
Rot. Bonds3

About 1-[6-(4-bromo-2-fluorophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine

1-[6-(4-bromo-2-fluorophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine (PubChem CID 58042092) has the molecular formula C18H21BrFN3 and a molecular weight of 378.29 g/mol. Its IUPAC name is 1-[6-(4-bromo-2-fluorophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[6-(4-bromo-2-fluorophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine
PubChem CID58042092
Molecular FormulaC18H21BrFN3
Molecular Weight378.29 g/mol
Exact Mass377.09
IUPAC Name1-[6-(4-bromo-2-fluorophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine
SMILESCCN1CCN(c2ccc(C)c(-c3ccc(Br)cc3F)n2)CC1
InChIInChI=1S/C18H21BrFN3/c1-3-22-8-10-23(11-9-22)17-7-4-13(2)18(21-17)15-6-5-14(19)12-16(15)20/h4-7,12H,3,8-11H2,1-2H3
InChIKeyRIMJKBQBKXXZNQ-UHFFFAOYSA-N
XLogP4.10
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 54.10
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)-5-methyl-2-pyridinyl]-4-ethylpiperazine?
The IUPAC name of 1-[6-(4-bromo-2-fluorophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine (CID 58042092) is 1-[6-(4-bromo-2-fluorophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[6-(4-bromo-2-fluorophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine?
The canonical SMILES for 1-[6-(4-bromo-2-fluorophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine is CCN1CCN(c2ccc(C)c(-c3ccc(Br)cc3F)n2)CC1.
What is the InChIKey of 1-[6-(4-bromo-2-fluorophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine?
The InChIKey is RIMJKBQBKXXZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN3/c1-3-22-8-10-23(11-9-22)17-7-4-13(2)18(21-17)15-6-5-14(19)12-16(15)20/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 1-[6-(4-bromo-2-fluorophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine?
1-[6-(4-bromo-2-fluorophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine has a molecular weight of 378.29 g/mol, XLogP of 4.10, 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)-5-methyl-2-pyridinyl]-4-ethylpiperazine is sourced from PubChem (CID 58042092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).