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

C12H20N2OS — CID 779464

IUPAC2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol
SMILESCc1ccsc1CN1CCN(CCO)CC1
InChIInChI=1S/C12H20N2OS/c1-11-2-9-16-12(11)10-14-5-3-13(4-6-14)7-8-15/h2,9,15H,3-8,10H2,1H3
InChIKeyCMTNWTDDQNGNDX-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.17
Rot. Bonds4

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

2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 779464) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol
PubChem CID779464
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol
SMILESCc1ccsc1CN1CCN(CCO)CC1
InChIInChI=1S/C12H20N2OS/c1-11-2-9-16-12(11)10-14-5-3-13(4-6-14)7-8-15/h2,9,15H,3-8,10H2,1H3
InChIKeyCMTNWTDDQNGNDX-UHFFFAOYSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol (CID 779464) is 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol is Cc1ccsc1CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is CMTNWTDDQNGNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-11-2-9-16-12(11)10-14-5-3-13(4-6-14)7-8-15/h2,9,15H,3-8,10H2,1H3.
What are the key properties of 2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 240.37 g/mol, XLogP of 1.17, 4 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)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 779464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).