1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride

C10H18Cl2N2S — CID 171280726

IUPAC1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride
SMILESC[C@@H](c1ccsc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C10H16N2S.2ClH/c1-9(10-2-7-13-8-10)12-5-3-11-4-6-12;;/h2,7-9,11H,3-6H2,1H3;2*1H/t9-;;/m0../s1
InChIKeyUOFFUPULCAJPPW-WWPIYYJJSA-N
MW269.24 g/mol
LogP2.56
Rot. Bonds2

About 1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride

1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride (PubChem CID 171280726) has the molecular formula C10H18Cl2N2S and a molecular weight of 269.24 g/mol. Its IUPAC name is 1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride
PubChem CID171280726
Molecular FormulaC10H18Cl2N2S
Molecular Weight269.24 g/mol
Exact Mass268.06
IUPAC Name1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride
SMILESC[C@@H](c1ccsc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C10H16N2S.2ClH/c1-9(10-2-7-13-8-10)12-5-3-11-4-6-12;;/h2,7-9,11H,3-6H2,1H3;2*1H/t9-;;/m0../s1
InChIKeyUOFFUPULCAJPPW-WWPIYYJJSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride
CID 171280730
1-[(1S)-1-thiophen-3-ylpropyl]piperazine
CID 131188138
1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62089674
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride
CID 171280742
3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine
CID 64954383
3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine
CID 64953980
(3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride
CID 171307005
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
[1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine
CID 62090353
1-[(S)-(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171175913
1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179419

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride (CID 171280726) is 1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride is C[C@@H](c1ccsc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride?
The InChIKey is UOFFUPULCAJPPW-WWPIYYJJSA-N. The full InChI is InChI=1S/C10H16N2S.2ClH/c1-9(10-2-7-13-8-10)12-5-3-11-4-6-12;;/h2,7-9,11H,3-6H2,1H3;2*1H/t9-;;/m0../s1.
What are the key properties of 1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride?
1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride has a molecular weight of 269.24 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171280726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).