1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine

C17H20BrN3 — CID 114870227

IUPAC1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCN(c3cc(C)c(Br)cn3)CC2)c1
InChIInChI=1S/C17H20BrN3/c1-13-4-3-5-15(10-13)20-6-8-21(9-7-20)17-11-14(2)16(18)12-19-17/h3-5,10-12H,6-9H2,1-2H3
InChIKeyTVITZVROBVLMII-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.79
Rot. Bonds2

About 1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine

1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine (PubChem CID 114870227) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine
PubChem CID114870227
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCN(c3cc(C)c(Br)cn3)CC2)c1
InChIInChI=1S/C17H20BrN3/c1-13-4-3-5-15(10-13)20-6-8-21(9-7-20)17-11-14(2)16(18)12-19-17/h3-5,10-12H,6-9H2,1-2H3
InChIKeyTVITZVROBVLMII-UHFFFAOYSA-N
XLogP3.79
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]aniline
CID 114869657
1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine
CID 115773799
1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 115773812
1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine
CID 133403074
1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 61252606
5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 66343054
4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine
CID 115773933
2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 114869654
1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine
CID 115773969
1-(3-methylphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 27306784
4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide
CID 115774067

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine?
The IUPAC name of 1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine (CID 114870227) is 1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine.
What is the SMILES notation for 1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine?
The canonical SMILES for 1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine is Cc1cccc(N2CCN(c3cc(C)c(Br)cn3)CC2)c1.
What is the InChIKey of 1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine?
The InChIKey is TVITZVROBVLMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-13-4-3-5-15(10-13)20-6-8-21(9-7-20)17-11-14(2)16(18)12-19-17/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine?
1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine has a molecular weight of 346.27 g/mol, XLogP of 3.79, 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-(3-methylphenyl)piperazine is sourced from PubChem (CID 114870227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).