1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

C15H18Br2Cl2N2S — CID 171296235

IUPAC1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESBrc1ccc(Br)c([C@@H](c2cccs2)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C15H16Br2N2S.2ClH/c16-11-3-4-13(17)12(10-11)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-;;/m0../s1
InChIKeySVIKXBATWMMAFX-CKUXDGONSA-N
MW489.10 g/mol
LogP5.11
Rot. Bonds3

About 1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (PubChem CID 171296235) has the molecular formula C15H18Br2Cl2N2S and a molecular weight of 489.10 g/mol. Its IUPAC name is 1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
PubChem CID171296235
Molecular FormulaC15H18Br2Cl2N2S
Molecular Weight489.10 g/mol
Exact Mass485.89
IUPAC Name1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESBrc1ccc(Br)c([C@@H](c2cccs2)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C15H16Br2N2S.2ClH/c16-11-3-4-13(17)12(10-11)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-;;/m0../s1
InChIKeySVIKXBATWMMAFX-CKUXDGONSA-N
XLogP5.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.10
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-[2-bromo-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171179897
1-[(S)-(3-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281047
1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171283652
1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171274866
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-[(S)-(4-bromo-2,6-difluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171291239
2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171287287
4-bromo-2-methoxy-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171282069
2,6-dibromo-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171286564
1-[(R)-(3-bromo-2,6-difluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171277701
1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine
CID 171180610

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (CID 171296235) is 1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is Brc1ccc(Br)c([C@@H](c2cccs2)N2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The InChIKey is SVIKXBATWMMAFX-CKUXDGONSA-N. The full InChI is InChI=1S/C15H16Br2N2S.2ClH/c16-11-3-4-13(17)12(10-11)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-;;/m0../s1.
What are the key properties of 1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride has a molecular weight of 489.10 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171296235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).