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

C12H19BrN2S — CID 115381357

IUPAC1-[2-(3-bromothiophen-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(C)C1c1sccc1Br
InChIInChI=1S/C12H19BrN2S/c1-14-8-9-4-3-6-15(2)11(9)12-10(13)5-7-16-12/h5,7,9,11,14H,3-4,6,8H2,1-2H3
InChIKeyOCBVEUARBTVNKT-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.11
Rot. Bonds3

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

1-[2-(3-bromothiophen-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine (PubChem CID 115381357) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-[2-(3-bromothiophen-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-bromothiophen-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
PubChem CID115381357
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name1-[2-(3-bromothiophen-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(C)C1c1sccc1Br
InChIInChI=1S/C12H19BrN2S/c1-14-8-9-4-3-6-15(2)11(9)12-10(13)5-7-16-12/h5,7,9,11,14H,3-4,6,8H2,1-2H3
InChIKeyOCBVEUARBTVNKT-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromothiophen-2-yl)-1-methylazepan-3-yl]methanamine
CID 115381356
N-[[2-(3-bromothiophen-2-yl)-1-methylpyrrolidin-3-yl]methyl]propan-1-amine
CID 115381366
1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine
CID 81017794
N-methyl-1-[1-methyl-2-(6-methyl-3-pyridinyl)piperidin-3-yl]methanamine
CID 104823699
N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 115381375
1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 107125538
1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine
CID 79584048
1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 103570717
N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 106889408
1-[1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285310
1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 115350578
2,6-dichloro-4-[(1S)-1-[[(2R,3S)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methylamino]ethyl]aniline
CID 124860029

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromothiophen-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-bromothiophen-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine (CID 115381357) is 1-[2-(3-bromothiophen-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-bromothiophen-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-bromothiophen-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(C)C1c1sccc1Br.
What is the InChIKey of 1-[2-(3-bromothiophen-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine?
The InChIKey is OCBVEUARBTVNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-14-8-9-4-3-6-15(2)11(9)12-10(13)5-7-16-12/h5,7,9,11,14H,3-4,6,8H2,1-2H3.
What are the key properties of 1-[2-(3-bromothiophen-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine?
1-[2-(3-bromothiophen-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine has a molecular weight of 303.27 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromothiophen-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 115381357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).