1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride

C10H17BrCl2N2S — CID 171276089

IUPAC1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride
SMILESC[C@@H](c1ccc(Br)s1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C10H15BrN2S.2ClH/c1-8(9-2-3-10(11)14-9)13-6-4-12-5-7-13;;/h2-3,8,12H,4-7H2,1H3;2*1H/t8-;;/m0../s1
InChIKeyJQHZCKZZZWVOFV-JZGIKJSDSA-N
MW348.14 g/mol
LogP3.32
Rot. Bonds2

About 1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride

1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride (PubChem CID 171276089) has the molecular formula C10H17BrCl2N2S and a molecular weight of 348.14 g/mol. Its IUPAC name is 1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride
PubChem CID171276089
Molecular FormulaC10H17BrCl2N2S
Molecular Weight348.14 g/mol
Exact Mass345.97
IUPAC Name1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride
SMILESC[C@@H](c1ccc(Br)s1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C10H15BrN2S.2ClH/c1-8(9-2-3-10(11)14-9)13-6-4-12-5-7-13;;/h2-3,8,12H,4-7H2,1H3;2*1H/t8-;;/m0../s1
InChIKeyJQHZCKZZZWVOFV-JZGIKJSDSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
CID 61057830
1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 5196811
1-[(1S)-1-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
CID 131553593
1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine
CID 82308445
1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine
CID 131430761
1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
CID 171276105
1-[(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3668606
1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine
CID 3611704
1-[(4-bromophenyl)-(5-bromothiophen-2-yl)methyl]-1,4-diazepane
CID 3695697
2-[1-[1-(5-bromothiophen-2-yl)ethyl]piperidin-4-yl]acetic acid
CID 79606534
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
1-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]piperazine
CID 4689029

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride (CID 171276089) is 1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride is C[C@@H](c1ccc(Br)s1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride?
The InChIKey is JQHZCKZZZWVOFV-JZGIKJSDSA-N. The full InChI is InChI=1S/C10H15BrN2S.2ClH/c1-8(9-2-3-10(11)14-9)13-6-4-12-5-7-13;;/h2-3,8,12H,4-7H2,1H3;2*1H/t8-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride?
1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride has a molecular weight of 348.14 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171276089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).