2-[4-(3-methylthiophen-2-yl)piperazin-1-yl]ethanol

C11H18N2OS — CID 23462059

IUPAC2-[4-(3-methylthiophen-2-yl)piperazin-1-yl]ethanol
SMILESCc1ccsc1N1CCN(CCO)CC1
InChIInChI=1S/C11H18N2OS/c1-10-2-9-15-11(10)13-5-3-12(4-6-13)7-8-14/h2,9,14H,3-8H2,1H3
InChIKeyYBLHHUSZFBKCJX-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.17
Rot. Bonds3

About 2-[4-(3-methylthiophen-2-yl)piperazin-1-yl]ethanol

2-[4-(3-methylthiophen-2-yl)piperazin-1-yl]ethanol (PubChem CID 23462059) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[4-(3-methylthiophen-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-methylthiophen-2-yl)piperazin-1-yl]ethanol
PubChem CID23462059
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[4-(3-methylthiophen-2-yl)piperazin-1-yl]ethanol
SMILESCc1ccsc1N1CCN(CCO)CC1
InChIInChI=1S/C11H18N2OS/c1-10-2-9-15-11(10)13-5-3-12(4-6-13)7-8-14/h2,9,14H,3-8H2,1H3
InChIKeyYBLHHUSZFBKCJX-UHFFFAOYSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-methylthiophen-2-yl)piperazin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylthiophen-2-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-methylthiophen-2-yl)piperazin-1-yl]ethanol (CID 23462059) is 2-[4-(3-methylthiophen-2-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-methylthiophen-2-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-methylthiophen-2-yl)piperazin-1-yl]ethanol is Cc1ccsc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(3-methylthiophen-2-yl)piperazin-1-yl]ethanol?
The InChIKey is YBLHHUSZFBKCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-10-2-9-15-11(10)13-5-3-12(4-6-13)7-8-14/h2,9,14H,3-8H2,1H3.
What are the key properties of 2-[4-(3-methylthiophen-2-yl)piperazin-1-yl]ethanol?
2-[4-(3-methylthiophen-2-yl)piperazin-1-yl]ethanol has a molecular weight of 226.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylthiophen-2-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 23462059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).