1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine

C15H16Br2N2S — CID 3611704

IUPAC1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine
SMILESBrc1cccc(C(c2ccc(Br)s2)N2CCNCC2)c1
InChIInChI=1S/C15H16Br2N2S/c16-12-3-1-2-11(10-12)15(13-4-5-14(17)20-13)19-8-6-18-7-9-19/h1-5,10,15,18H,6-9H2
InChIKeyURRKXMVHSYHPTG-UHFFFAOYSA-N
MW416.18 g/mol
LogP4.27
Rot. Bonds3

About 1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine

1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine (PubChem CID 3611704) has the molecular formula C15H16Br2N2S and a molecular weight of 416.18 g/mol. Its IUPAC name is 1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine
PubChem CID3611704
Molecular FormulaC15H16Br2N2S
Molecular Weight416.18 g/mol
Exact Mass413.94
IUPAC Name1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine
SMILESBrc1cccc(C(c2ccc(Br)s2)N2CCNCC2)c1
InChIInChI=1S/C15H16Br2N2S/c16-12-3-1-2-11(10-12)15(13-4-5-14(17)20-13)19-8-6-18-7-9-19/h1-5,10,15,18H,6-9H2
InChIKeyURRKXMVHSYHPTG-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.18
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[bis(3-bromophenyl)methyl]piperazine
CID 3761882
1-[(4-bromophenyl)-(5-bromothiophen-2-yl)methyl]-1,4-diazepane
CID 3695697
1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 5196811
1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 3387297
1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
CID 171276105
1-[(3-bromophenyl)-pyridin-4-ylmethyl]piperazine
CID 3592490
1-[(3-bromophenyl)-phenylmethyl]-1,4-diazepane
CID 3457794
1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 3259924
1-[(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3668606
1-[(3-bromophenyl)-(3-fluorophenyl)methyl]-1,4-diazepane
CID 3682200
1-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]piperazine
CID 4689029
1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 171178496

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine (CID 3611704) is 1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine is Brc1cccc(C(c2ccc(Br)s2)N2CCNCC2)c1.
What is the InChIKey of 1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine?
The InChIKey is URRKXMVHSYHPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2S/c16-12-3-1-2-11(10-12)15(13-4-5-14(17)20-13)19-8-6-18-7-9-19/h1-5,10,15,18H,6-9H2.
What are the key properties of 1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine?
1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine has a molecular weight of 416.18 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 3611704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).