2-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol

C11H17BrN2OS — CID 2843088

IUPAC2-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2cc(Br)cs2)CC1
InChIInChI=1S/C11H17BrN2OS/c12-10-7-11(16-9-10)8-14-3-1-13(2-4-14)5-6-15/h7,9,15H,1-6,8H2
InChIKeyAEYHEWDAKKAYLP-UHFFFAOYSA-N
MW305.24 g/mol
LogP1.62
Rot. Bonds4

About 2-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol

2-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 2843088) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol
PubChem CID2843088
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name2-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2cc(Br)cs2)CC1
InChIInChI=1S/C11H17BrN2OS/c12-10-7-11(16-9-10)8-14-3-1-13(2-4-14)5-6-15/h7,9,15H,1-6,8H2
InChIKeyAEYHEWDAKKAYLP-UHFFFAOYSA-N
XLogP1.62
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol (CID 2843088) is 2-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol is OCCN1CCN(Cc2cc(Br)cs2)CC1.
What is the InChIKey of 2-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is AEYHEWDAKKAYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c12-10-7-11(16-9-10)8-14-3-1-13(2-4-14)5-6-15/h7,9,15H,1-6,8H2.
What are the key properties of 2-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 305.24 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 2843088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).