4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine

C11H17BrN2S — CID 115209892

IUPAC4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine
SMILESCN(CC1CCNCC1)c1cc(Br)cs1
InChIInChI=1S/C11H17BrN2S/c1-14(11-6-10(12)8-15-11)7-9-2-4-13-5-3-9/h6,8-9,13H,2-5,7H2,1H3
InChIKeyDADUMRPEZISXOZ-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.95
Rot. Bonds3

About 4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine

4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine (PubChem CID 115209892) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine
PubChem CID115209892
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine
SMILESCN(CC1CCNCC1)c1cc(Br)cs1
InChIInChI=1S/C11H17BrN2S/c1-14(11-6-10(12)8-15-11)7-9-2-4-13-5-3-9/h6,8-9,13H,2-5,7H2,1H3
InChIKeyDADUMRPEZISXOZ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-bromothiophen-2-yl)-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 115221905
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CID 115210042
N-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide
CID 115160004
1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 107355045
4-bromo-N-ethyl-N-methylthiophen-2-amine
CID 115259321
N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine
CID 130458996
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119731612
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62210566
5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide
CID 114894118
4-[(4-bromothiophen-2-yl)methyl]azepane
CID 83262138
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936486

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine?
The IUPAC name of 4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine (CID 115209892) is 4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine.
What is the SMILES notation for 4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine?
The canonical SMILES for 4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine is CN(CC1CCNCC1)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine?
The InChIKey is DADUMRPEZISXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-14(11-6-10(12)8-15-11)7-9-2-4-13-5-3-9/h6,8-9,13H,2-5,7H2,1H3.
What are the key properties of 4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine?
4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine has a molecular weight of 289.24 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine is sourced from PubChem (CID 115209892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).