1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine

C15H15BrClN3 — CID 115657257

IUPAC1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine
SMILESClc1ccc(N2CCN(c3cncc(Br)c3)CC2)cc1
InChIInChI=1S/C15H15BrClN3/c16-12-9-15(11-18-10-12)20-7-5-19(6-8-20)14-3-1-13(17)2-4-14/h1-4,9-11H,5-8H2
InChIKeyKWCZMLWVDGTBEG-UHFFFAOYSA-N
MW352.66 g/mol
LogP3.82
Rot. Bonds2

About 1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine

1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine (PubChem CID 115657257) has the molecular formula C15H15BrClN3 and a molecular weight of 352.66 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine
PubChem CID115657257
Molecular FormulaC15H15BrClN3
Molecular Weight352.66 g/mol
Exact Mass351.01
IUPAC Name1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine
SMILESClc1ccc(N2CCN(c3cncc(Br)c3)CC2)cc1
InChIInChI=1S/C15H15BrClN3/c16-12-9-15(11-18-10-12)20-7-5-19(6-8-20)14-3-1-13(17)2-4-14/h1-4,9-11H,5-8H2
InChIKeyKWCZMLWVDGTBEG-UHFFFAOYSA-N
XLogP3.82
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine
CID 133465721
1-(5-bromo-3-pyridinyl)-4-propylpiperazine
CID 115657003
2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine
CID 112690429
1-(5-bromo-3-pyridinyl)piperidin-4-amine
CID 70343493
1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine
CID 113234116
1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine
CID 114836681
1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 112695175
1-(5-bromo-3-pyridinyl)-4-(2-methoxyphenyl)piperazine
CID 115620485
3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine
CID 160523140
1-(5-bromo-3-pyridinyl)-4-methylpiperazine;3,5-dibromopyridine;methane;1-methylpiperazine
CID 159974733
4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one
CID 71924857
1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol
CID 71871118

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine (CID 115657257) is 1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine is Clc1ccc(N2CCN(c3cncc(Br)c3)CC2)cc1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine?
The InChIKey is KWCZMLWVDGTBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3/c16-12-9-15(11-18-10-12)20-7-5-19(6-8-20)14-3-1-13(17)2-4-14/h1-4,9-11H,5-8H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine?
1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine has a molecular weight of 352.66 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine is sourced from PubChem (CID 115657257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).