1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine

C11H17BrN2S — CID 62546532

IUPAC1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2sccc2Br)C1
InChIInChI=1S/C11H17BrN2S/c1-13-9-3-2-5-14(7-9)8-11-10(12)4-6-15-11/h4,6,9,13H,2-3,5,7-8H2,1H3
InChIKeyXWFYLLKTXYEUNG-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.69
Rot. Bonds3

About 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine

1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine (PubChem CID 62546532) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine
PubChem CID62546532
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2sccc2Br)C1
InChIInChI=1S/C11H17BrN2S/c1-13-9-3-2-5-14(7-9)8-11-10(12)4-6-15-11/h4,6,9,13H,2-3,5,7-8H2,1H3
InChIKeyXWFYLLKTXYEUNG-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine (CID 62546532) is 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine is CNC1CCCN(Cc2sccc2Br)C1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is XWFYLLKTXYEUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-13-9-3-2-5-14(7-9)8-11-10(12)4-6-15-11/h4,6,9,13H,2-3,5,7-8H2,1H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine?
1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 289.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 62546532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).