2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol

C10H14Br2N2OS — CID 102843442

IUPAC2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol
SMILESOCC(c1cc(Br)c(Br)s1)N1CCNCC1
InChIInChI=1S/C10H14Br2N2OS/c11-7-5-9(16-10(7)12)8(6-15)14-3-1-13-2-4-14/h5,8,13,15H,1-4,6H2
InChIKeyVVJPUBCSWUDXJG-UHFFFAOYSA-N
MW370.11 g/mol
LogP2.21
Rot. Bonds3

About 2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol

2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol (PubChem CID 102843442) has the molecular formula C10H14Br2N2OS and a molecular weight of 370.11 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol
PubChem CID102843442
Molecular FormulaC10H14Br2N2OS
Molecular Weight370.11 g/mol
Exact Mass367.92
IUPAC Name2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol
SMILESOCC(c1cc(Br)c(Br)s1)N1CCNCC1
InChIInChI=1S/C10H14Br2N2OS/c11-7-5-9(16-10(7)12)8(6-15)14-3-1-13-2-4-14/h5,8,13,15H,1-4,6H2
InChIKeyVVJPUBCSWUDXJG-UHFFFAOYSA-N
XLogP2.21
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.11
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(4,5-dibromothiophen-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306422
1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine
CID 131430761
1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine
CID 171305676
1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171283711
1-[(1R)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304911
(2S)-2-(3,5-dibromophenyl)-2-piperazin-1-ylethanol
CID 171183163
2,6-dibromo-4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171182896
(2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol
CID 171183258
1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171283722
2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 102838136
2,4,6-tribromo-3-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol
CID 171183281
1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)butyl]piperazine;dihydrochloride
CID 171276319

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol (CID 102843442) is 2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol is OCC(c1cc(Br)c(Br)s1)N1CCNCC1.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol?
The InChIKey is VVJPUBCSWUDXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2OS/c11-7-5-9(16-10(7)12)8(6-15)14-3-1-13-2-4-14/h5,8,13,15H,1-4,6H2.
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol?
2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol has a molecular weight of 370.11 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 102843442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).