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

C13H21BrN2S — CID 64848467

IUPAC1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(Cc2sccc2Br)C(C)CN1
InChIInChI=1S/C13H21BrN2S/c1-4-13(3)9-16(10(2)7-15-13)8-12-11(14)5-6-17-12/h5-6,10,15H,4,7-9H2,1-3H3
InChIKeyZJMUJRIPTMUMCD-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.47
Rot. Bonds3

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

1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine (PubChem CID 64848467) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine
PubChem CID64848467
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(Cc2sccc2Br)C(C)CN1
InChIInChI=1S/C13H21BrN2S/c1-4-13(3)9-16(10(2)7-15-13)8-12-11(14)5-6-17-12/h5-6,10,15H,4,7-9H2,1-3H3
InChIKeyZJMUJRIPTMUMCD-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 64850024
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine
CID 64842685
1-[(3-bromothiophen-2-yl)methyl]-2-tert-butyl-5,5-diethylpiperazine
CID 64859676
1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine
CID 64839742
1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine
CID 64849242
1-[(2-bromophenyl)methyl]-3-ethyl-3,7-dimethyl-1,4-diazepane
CID 64871029
1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64940819
4-[(3-bromothiophen-2-yl)methyl]-5-methyl-1,4-thiazepane
CID 130834798
5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine
CID 64847317
1-[2-(4-chlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine
CID 64934390
1-butyl-5-ethyl-2,5-dimethylpiperazine
CID 64849431
1-[(3-bromothiophen-2-yl)methyl]-3-ethyl-3,7-dimethyl-1,4-diazepane-2,5-dione
CID 64881729

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine (CID 64848467) is 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine is CCC1(C)CN(Cc2sccc2Br)C(C)CN1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine?
The InChIKey is ZJMUJRIPTMUMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c1-4-13(3)9-16(10(2)7-15-13)8-12-11(14)5-6-17-12/h5-6,10,15H,4,7-9H2,1-3H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine?
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine has a molecular weight of 317.30 g/mol, XLogP of 3.47, 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-2,5-dimethylpiperazine is sourced from PubChem (CID 64848467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).