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

C21H25BrFN3 — CID 58041764

IUPAC1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-cyclohexylpiperazine
SMILESFc1cc(Br)ccc1-c1cccc(N2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C21H25BrFN3/c22-16-9-10-18(19(23)15-16)20-7-4-8-21(24-20)26-13-11-25(12-14-26)17-5-2-1-3-6-17/h4,7-10,15,17H,1-3,5-6,11-14H2
InChIKeyOLFFLKYZZNVEOC-UHFFFAOYSA-N
MW418.35 g/mol
LogP5.10
Rot. Bonds3

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

1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-cyclohexylpiperazine (PubChem CID 58041764) has the molecular formula C21H25BrFN3 and a molecular weight of 418.35 g/mol. Its IUPAC name is 1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-cyclohexylpiperazine.

Molecular Properties

Compound Name1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-cyclohexylpiperazine
PubChem CID58041764
Molecular FormulaC21H25BrFN3
Molecular Weight418.35 g/mol
Exact Mass417.12
IUPAC Name1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-cyclohexylpiperazine
SMILESFc1cc(Br)ccc1-c1cccc(N2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C21H25BrFN3/c22-16-9-10-18(19(23)15-16)20-7-4-8-21(24-20)26-13-11-25(12-14-26)17-5-2-1-3-6-17/h4,7-10,15,17H,1-3,5-6,11-14H2
InChIKeyOLFFLKYZZNVEOC-UHFFFAOYSA-N
XLogP5.10
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.35
LogP ≤ 55.10
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)-2-pyridinyl]-4-cyclohexylpiperazine?
The IUPAC name of 1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-cyclohexylpiperazine (CID 58041764) is 1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-cyclohexylpiperazine.
What is the SMILES notation for 1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-cyclohexylpiperazine?
The canonical SMILES for 1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-cyclohexylpiperazine is Fc1cc(Br)ccc1-c1cccc(N2CCN(C3CCCCC3)CC2)n1.
What is the InChIKey of 1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-cyclohexylpiperazine?
The InChIKey is OLFFLKYZZNVEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrFN3/c22-16-9-10-18(19(23)15-16)20-7-4-8-21(24-20)26-13-11-25(12-14-26)17-5-2-1-3-6-17/h4,7-10,15,17H,1-3,5-6,11-14H2.
What are the key properties of 1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-cyclohexylpiperazine?
1-[6-(4-bromo-2-fluorophenyl)-2-pyridinyl]-4-cyclohexylpiperazine has a molecular weight of 418.35 g/mol, XLogP of 5.10, 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)-2-pyridinyl]-4-cyclohexylpiperazine is sourced from PubChem (CID 58041764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).