1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

C15H18BrCl2FN2S — CID 171274866

IUPAC1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc([C@H](c2cccs2)N2CCNCC2)c(Br)c1
InChIInChI=1S/C15H16BrFN2S.2ClH/c16-13-10-11(17)3-4-12(13)15(14-2-1-9-20-14)19-7-5-18-6-8-19;;/h1-4,9-10,15,18H,5-8H2;2*1H/t15-;;/m1../s1
InChIKeyJTEISAIWWQFCEL-QCUBGVIVSA-N
MW428.20 g/mol
LogP4.49
Rot. Bonds3

About 1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (PubChem CID 171274866) has the molecular formula C15H18BrCl2FN2S and a molecular weight of 428.20 g/mol. Its IUPAC name is 1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
PubChem CID171274866
Molecular FormulaC15H18BrCl2FN2S
Molecular Weight428.20 g/mol
Exact Mass425.97
IUPAC Name1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc([C@H](c2cccs2)N2CCNCC2)c(Br)c1
InChIInChI=1S/C15H16BrFN2S.2ClH/c16-13-10-11(17)3-4-12(13)15(14-2-1-9-20-14)19-7-5-18-6-8-19;;/h1-4,9-10,15,18H,5-8H2;2*1H/t15-;;/m1../s1
InChIKeyJTEISAIWWQFCEL-QCUBGVIVSA-N
XLogP4.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.20
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-(2-chloro-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171179722
1-[(R)-(2-chloro-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171277028
1-[(R)-(2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171178804
1-[(S)-(2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171175417
1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171296235
1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171178801
1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine
CID 171180610
1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171276826
1-[(S)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171289451
1-[(R)-[2-bromo-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171179897
1-[(S)-(4-bromo-2,6-difluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171291239
1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 92754518

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (CID 171274866) is 1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is Cl.Cl.Fc1ccc([C@H](c2cccs2)N2CCNCC2)c(Br)c1.
What is the InChIKey of 1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The InChIKey is JTEISAIWWQFCEL-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H16BrFN2S.2ClH/c16-13-10-11(17)3-4-12(13)15(14-2-1-9-20-14)19-7-5-18-6-8-19;;/h1-4,9-10,15,18H,5-8H2;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride has a molecular weight of 428.20 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171274866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).