1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine

C12H19BrN2S — CID 64842685

IUPAC1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine
SMILESCCC1CN(Cc2sccc2Br)C(C)CN1
InChIInChI=1S/C12H19BrN2S/c1-3-10-7-15(9(2)6-14-10)8-12-11(13)4-5-16-12/h4-5,9-10,14H,3,6-8H2,1-2H3
InChIKeyIVNKXUSRAVKYHN-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.08
Rot. Bonds3

About 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine

1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine (PubChem CID 64842685) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine
PubChem CID64842685
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine
SMILESCCC1CN(Cc2sccc2Br)C(C)CN1
InChIInChI=1S/C12H19BrN2S/c1-3-10-7-15(9(2)6-14-10)8-12-11(13)4-5-16-12/h4-5,9-10,14H,3,6-8H2,1-2H3
InChIKeyIVNKXUSRAVKYHN-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine
CID 64840935
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine
CID 64848467
1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine
CID 65331441
1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-propylpiperazine
CID 64840856
1-[(3-bromothiophen-2-yl)methyl]-2,5-di(butan-2-yl)piperazine
CID 64848042
1-[(3-bromothiophen-2-yl)methyl]-2-ethylazepane
CID 104691377
1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine
CID 64832145
4-[(3-bromothiophen-2-yl)methyl]-5-methyl-1,4-thiazepane
CID 130834798
2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine
CID 64844392
5-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 64840938
4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine
CID 55208223
1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine
CID 64841646

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine (CID 64842685) is 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine is CCC1CN(Cc2sccc2Br)C(C)CN1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine?
The InChIKey is IVNKXUSRAVKYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-3-10-7-15(9(2)6-14-10)8-12-11(13)4-5-16-12/h4-5,9-10,14H,3,6-8H2,1-2H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine?
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine has a molecular weight of 303.27 g/mol, XLogP of 3.08, 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]-5-ethyl-2-methylpiperazine is sourced from PubChem (CID 64842685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).