3-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopent-2-en-1-one

C11H18N2O2 — CID 104787728

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCN(CCO)CC2)CC1
InChIInChI=1S/C11H18N2O2/c14-8-7-12-3-5-13(6-4-12)10-1-2-11(15)9-10/h9,14H,1-8H2
InChIKeyYQEIIMGPWVMXMV-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.16
Rot. Bonds3

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopent-2-en-1-one

3-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopent-2-en-1-one (PubChem CID 104787728) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopent-2-en-1-one
PubChem CID104787728
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCN(CCO)CC2)CC1
InChIInChI=1S/C11H18N2O2/c14-8-7-12-3-5-13(6-4-12)10-1-2-11(15)9-10/h9,14H,1-8H2
InChIKeyYQEIIMGPWVMXMV-UHFFFAOYSA-N
XLogP-0.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopent-2-en-1-one?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopent-2-en-1-one (CID 104787728) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopent-2-en-1-one is O=C1C=C(N2CCN(CCO)CC2)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopent-2-en-1-one?
The InChIKey is YQEIIMGPWVMXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-8-7-12-3-5-13(6-4-12)10-1-2-11(15)9-10/h9,14H,1-8H2.
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopent-2-en-1-one?
3-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopent-2-en-1-one has a molecular weight of 210.28 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 104787728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).