2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine

C12H19BrN4 — CID 82167516

IUPAC2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine
SMILESCc1cnc(N2CCN(CCN)CC2)c(Br)c1
InChIInChI=1S/C12H19BrN4/c1-10-8-11(13)12(15-9-10)17-6-4-16(3-2-14)5-7-17/h8-9H,2-7,14H2,1H3
InChIKeyLXBADNJGZMHARV-UHFFFAOYSA-N
MW299.22 g/mol
LogP1.23
Rot. Bonds3

About 2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine

2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine (PubChem CID 82167516) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is 2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine
PubChem CID82167516
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC Name2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine
SMILESCc1cnc(N2CCN(CCN)CC2)c(Br)c1
InChIInChI=1S/C12H19BrN4/c1-10-8-11(13)12(15-9-10)17-6-4-16(3-2-14)5-7-17/h8-9H,2-7,14H2,1H3
InChIKeyLXBADNJGZMHARV-UHFFFAOYSA-N
XLogP1.23
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 105367346
2-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 66342072
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine
CID 103582181
1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine
CID 105367783
2-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]ethanamine
CID 83063868
1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane
CID 105367961
4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine
CID 105368114
[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 105367527
3-[4-(5-bromo-3-methyl-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 79712364
1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 105367643
3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742
3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine
CID 105367629

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine (CID 82167516) is 2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine is Cc1cnc(N2CCN(CCN)CC2)c(Br)c1.
What is the InChIKey of 2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine?
The InChIKey is LXBADNJGZMHARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c1-10-8-11(13)12(15-9-10)17-6-4-16(3-2-14)5-7-17/h8-9H,2-7,14H2,1H3.
What are the key properties of 2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine?
2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine has a molecular weight of 299.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 82167516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).