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

C17H21BrN2S — CID 64844392

IUPAC2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine
SMILESCC1CN(Cc2sccc2Br)C(Cc2ccccc2)CN1
InChIInChI=1S/C17H21BrN2S/c1-13-11-20(12-17-16(18)7-8-21-17)15(10-19-13)9-14-5-3-2-4-6-14/h2-8,13,15,19H,9-12H2,1H3
InChIKeyYBEQZSDRABXTHY-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.92
Rot. Bonds4

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

2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine (PubChem CID 64844392) has the molecular formula C17H21BrN2S and a molecular weight of 365.34 g/mol. Its IUPAC name is 2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine.

Molecular Properties

Compound Name2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine
PubChem CID64844392
Molecular FormulaC17H21BrN2S
Molecular Weight365.34 g/mol
Exact Mass364.06
IUPAC Name2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine
SMILESCC1CN(Cc2sccc2Br)C(Cc2ccccc2)CN1
InChIInChI=1S/C17H21BrN2S/c1-13-11-20(12-17-16(18)7-8-21-17)15(10-19-13)9-14-5-3-2-4-6-14/h2-8,13,15,19H,9-12H2,1H3
InChIKeyYBEQZSDRABXTHY-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine
CID 65462876
2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine
CID 82246267
2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 82250163
2-benzyl-1,5-dimethylpiperazine
CID 64844005
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
CID 178163540
1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine
CID 64848806
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine
CID 64842685
2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 115943580
1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-propylpiperazine
CID 64840856
1-[(3-bromothiophen-2-yl)methyl]-5-tert-butyl-2-(2-methylpropyl)piperazine
CID 64841646
1,2,5-tribenzylpiperazine
CID 64850137

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine?
The IUPAC name of 2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine (CID 64844392) is 2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine.
What is the SMILES notation for 2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine?
The canonical SMILES for 2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine is CC1CN(Cc2sccc2Br)C(Cc2ccccc2)CN1.
What is the InChIKey of 2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine?
The InChIKey is YBEQZSDRABXTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2S/c1-13-11-20(12-17-16(18)7-8-21-17)15(10-19-13)9-14-5-3-2-4-6-14/h2-8,13,15,19H,9-12H2,1H3.
What are the key properties of 2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine?
2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine has a molecular weight of 365.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine is sourced from PubChem (CID 64844392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).