1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

C15H18Br2Cl2N2S — CID 171283652

IUPAC1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESBrc1ccc([C@H](c2cccs2)N2CCNCC2)cc1Br.Cl.Cl
InChIInChI=1S/C15H16Br2N2S.2ClH/c16-12-4-3-11(10-13(12)17)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
InChIKeyZGOHVPCAVSSGED-QCUBGVIVSA-N
MW489.10 g/mol
LogP5.11
Rot. Bonds3

About 1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (PubChem CID 171283652) has the molecular formula C15H18Br2Cl2N2S and a molecular weight of 489.10 g/mol. Its IUPAC name is 1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
PubChem CID171283652
Molecular FormulaC15H18Br2Cl2N2S
Molecular Weight489.10 g/mol
Exact Mass485.89
IUPAC Name1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESBrc1ccc([C@H](c2cccs2)N2CCNCC2)cc1Br.Cl.Cl
InChIInChI=1S/C15H16Br2N2S.2ClH/c16-12-4-3-11(10-13(12)17)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
InChIKeyZGOHVPCAVSSGED-QCUBGVIVSA-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

2,6-dibromo-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171286564
1-[(S)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171290700
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)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171296235
1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 92754518
1-[(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 3614145
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(S)-(3-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281047
1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171280709
6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride
CID 171277868
5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride
CID 171273859

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (CID 171283652) is 1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is Brc1ccc([C@H](c2cccs2)N2CCNCC2)cc1Br.Cl.Cl.
What is the InChIKey of 1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The InChIKey is ZGOHVPCAVSSGED-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H16Br2N2S.2ClH/c16-12-4-3-11(10-13(12)17)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)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
1-[(R)-(3,4-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-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171283652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).