[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethanone

C11H16N2O2S — CID 3269057

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(CCO)CC1
InChIInChI=1S/C11H16N2O2S/c14-8-7-12-3-5-13(6-4-12)11(15)10-2-1-9-16-10/h1-2,9,14H,3-8H2
InChIKeyTYLWCRQZPDRRRQ-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.50
Rot. Bonds3

About [4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 3269057) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID3269057
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(CCO)CC1
InChIInChI=1S/C11H16N2O2S/c14-8-7-12-3-5-13(6-4-12)11(15)10-2-1-9-16-10/h1-2,9,14H,3-8H2
InChIKeyTYLWCRQZPDRRRQ-UHFFFAOYSA-N
XLogP0.50
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 3269057) is [4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is TYLWCRQZPDRRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-8-7-12-3-5-13(6-4-12)11(15)10-2-1-9-16-10/h1-2,9,14H,3-8H2.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 240.33 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 3269057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).