1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine

C15H17BrN4 — CID 115773812

IUPAC1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
SMILESCc1cc(N2CCN(c3ccccn3)CC2)ncc1Br
InChIInChI=1S/C15H17BrN4/c1-12-10-15(18-11-13(12)16)20-8-6-19(7-9-20)14-4-2-3-5-17-14/h2-5,10-11H,6-9H2,1H3
InChIKeyMEGNFNOLHCNPOU-UHFFFAOYSA-N
MW333.23 g/mol
LogP2.87
Rot. Bonds2

About 1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine

1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine (PubChem CID 115773812) has the molecular formula C15H17BrN4 and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
PubChem CID115773812
Molecular FormulaC15H17BrN4
Molecular Weight333.23 g/mol
Exact Mass332.06
IUPAC Name1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
SMILESCc1cc(N2CCN(c3ccccn3)CC2)ncc1Br
InChIInChI=1S/C15H17BrN4/c1-12-10-15(18-11-13(12)16)20-8-6-19(7-9-20)14-4-2-3-5-17-14/h2-5,10-11H,6-9H2,1H3
InChIKeyMEGNFNOLHCNPOU-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 114869654
1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine
CID 114870227
3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]aniline
CID 114869657
1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine
CID 115773789
1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine
CID 115773969
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine
CID 107079300
4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide
CID 115774067
1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine
CID 115773841
5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 66341717
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine (CID 115773812) is 1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine is Cc1cc(N2CCN(c3ccccn3)CC2)ncc1Br.
What is the InChIKey of 1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine?
The InChIKey is MEGNFNOLHCNPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4/c1-12-10-15(18-11-13(12)16)20-8-6-19(7-9-20)14-4-2-3-5-17-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine?
1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine has a molecular weight of 333.23 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 115773812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).