1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine

C16H17BrFN3 — CID 115773799

IUPAC1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine
SMILESCc1cc(N2CCN(c3ccc(F)cc3)CC2)ncc1Br
InChIInChI=1S/C16H17BrFN3/c1-12-10-16(19-11-15(12)17)21-8-6-20(7-9-21)14-4-2-13(18)3-5-14/h2-5,10-11H,6-9H2,1H3
InChIKeyJOZRFPAUOUMMHP-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.62
Rot. Bonds2

About 1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine

1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine (PubChem CID 115773799) has the molecular formula C16H17BrFN3 and a molecular weight of 350.24 g/mol. Its IUPAC name is 1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine
PubChem CID115773799
Molecular FormulaC16H17BrFN3
Molecular Weight350.24 g/mol
Exact Mass349.06
IUPAC Name1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine
SMILESCc1cc(N2CCN(c3ccc(F)cc3)CC2)ncc1Br
InChIInChI=1S/C16H17BrFN3/c1-12-10-16(19-11-15(12)17)21-8-6-20(7-9-21)14-4-2-13(18)3-5-14/h2-5,10-11H,6-9H2,1H3
InChIKeyJOZRFPAUOUMMHP-UHFFFAOYSA-N
XLogP3.62
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine (CID 115773799) is 1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine is Cc1cc(N2CCN(c3ccc(F)cc3)CC2)ncc1Br.
What is the InChIKey of 1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine?
The InChIKey is JOZRFPAUOUMMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3/c1-12-10-16(19-11-15(12)17)21-8-6-20(7-9-21)14-4-2-13(18)3-5-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine?
1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine has a molecular weight of 350.24 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 115773799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).