1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine

C11H17BrN2S — CID 63910635

IUPAC1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine
SMILESCC1CNCC(C)N1Cc1csc(Br)c1
InChIInChI=1S/C11H17BrN2S/c1-8-4-13-5-9(2)14(8)6-10-3-11(12)15-7-10/h3,7-9,13H,4-6H2,1-2H3
InChIKeyQAXBEWGQAIUNKQ-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.69
Rot. Bonds2

About 1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine

1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine (PubChem CID 63910635) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine
PubChem CID63910635
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine
SMILESCC1CNCC(C)N1Cc1csc(Br)c1
InChIInChI=1S/C11H17BrN2S/c1-8-4-13-5-9(2)14(8)6-10-3-11(12)15-7-10/h3,7-9,13H,4-6H2,1-2H3
InChIKeyQAXBEWGQAIUNKQ-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine
CID 130941284
8-[(5-bromothiophen-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61234821
(2R,6S)-1-[(4-chlorothiophen-2-yl)methyl]-2,6-dimethylpiperazine;hydrochloride
CID 120844690
4-[(2,6-dimethylpiperazin-1-yl)methyl]aniline
CID 142647941
(2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine
CID 150641792
1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine
CID 130703844
1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine
CID 64978692
1-[(5-bromothiophen-3-yl)methyl]azocane
CID 52623640
[4-[(2,6-dimethylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438168
(3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol
CID 131089932
4-[(2,6-dimethylpiperazin-1-yl)methyl]benzonitrile
CID 63911420
2-(azetidin-3-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpropan-1-amine
CID 116679722

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine?
The IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine (CID 63910635) is 1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine.
What is the SMILES notation for 1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine?
The canonical SMILES for 1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine is CC1CNCC(C)N1Cc1csc(Br)c1.
What is the InChIKey of 1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine?
The InChIKey is QAXBEWGQAIUNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-8-4-13-5-9(2)14(8)6-10-3-11(12)15-7-10/h3,7-9,13H,4-6H2,1-2H3.
What are the key properties of 1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine?
1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine has a molecular weight of 289.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine is sourced from PubChem (CID 63910635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).