5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine

C15H16BrFN4 — CID 61230190

IUPAC5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1cc(Br)cnc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H16BrFN4/c16-11-9-14(18)15(19-10-11)21-7-5-20(6-8-21)13-3-1-12(17)2-4-13/h1-4,9-10H,5-8,18H2
InChIKeyRNMWZDMFMNGLEL-UHFFFAOYSA-N
MW351.22 g/mol
LogP2.89
Rot. Bonds2

About 5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine

5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 61230190) has the molecular formula C15H16BrFN4 and a molecular weight of 351.22 g/mol. Its IUPAC name is 5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine
PubChem CID61230190
Molecular FormulaC15H16BrFN4
Molecular Weight351.22 g/mol
Exact Mass350.05
IUPAC Name5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1cc(Br)cnc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H16BrFN4/c16-11-9-14(18)15(19-10-11)21-7-5-20(6-8-21)13-3-1-12(17)2-4-13/h1-4,9-10H,5-8,18H2
InChIKeyRNMWZDMFMNGLEL-UHFFFAOYSA-N
XLogP2.89
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-tert-butylpiperazin-1-yl)pyridin-3-amine
CID 61430226
5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine
CID 66342373
6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19137206
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 79713141
5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine
CID 61227700
5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135575716
1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine
CID 115773799
3-fluoro-5-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 60875546
3-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 28799981
5-bromo-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine
CID 114236680
5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine
CID 63164355
5-bromo-2-(3-methylpiperidin-1-yl)pyridin-3-amine
CID 61228660

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine (CID 61230190) is 5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine is Nc1cc(Br)cnc1N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is RNMWZDMFMNGLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN4/c16-11-9-14(18)15(19-10-11)21-7-5-20(6-8-21)13-3-1-12(17)2-4-13/h1-4,9-10H,5-8,18H2.
What are the key properties of 5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine?
5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 351.22 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 61230190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).