1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine

C15H18BrN3S — CID 112823407

IUPAC1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CCN(c3ccc(Br)cn3)CC2)s1
InChIInChI=1S/C15H18BrN3S/c1-12-2-4-14(20-12)11-18-6-8-19(9-7-18)15-5-3-13(16)10-17-15/h2-5,10H,6-9,11H2,1H3
InChIKeyCLUQQHHIFWPLFC-UHFFFAOYSA-N
MW352.30 g/mol
LogP3.54
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine

1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine (PubChem CID 112823407) has the molecular formula C15H18BrN3S and a molecular weight of 352.30 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
PubChem CID112823407
Molecular FormulaC15H18BrN3S
Molecular Weight352.30 g/mol
Exact Mass351.04
IUPAC Name1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CCN(c3ccc(Br)cn3)CC2)s1
InChIInChI=1S/C15H18BrN3S/c1-12-2-4-14(20-12)11-18-6-8-19(9-7-18)15-5-3-13(16)10-17-15/h2-5,10H,6-9,11H2,1H3
InChIKeyCLUQQHHIFWPLFC-UHFFFAOYSA-N
XLogP3.54
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine
CID 60869692
3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 55702249
[3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752650
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 167913792
1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 59292213
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl acetate
CID 91886723
N-[(5-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724710
4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 71220628
5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine
CID 63464475
3-[4-(5-bromo-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 60870254

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine (CID 112823407) is 1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine is Cc1ccc(CN2CCN(c3ccc(Br)cn3)CC2)s1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine?
The InChIKey is CLUQQHHIFWPLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3S/c1-12-2-4-14(20-12)11-18-6-8-19(9-7-18)15-5-3-13(16)10-17-15/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine?
1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine has a molecular weight of 352.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 112823407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).