1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one

C10H20N2O2 — CID 15838679

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C10H20N2O2/c1-2-3-10(14)12-6-4-11(5-7-12)8-9-13/h13H,2-9H2,1H3
InChIKeyURWJOZGDHQPGQI-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.08
Rot. Bonds4

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one

1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one (PubChem CID 15838679) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one
PubChem CID15838679
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C10H20N2O2/c1-2-3-10(14)12-6-4-11(5-7-12)8-9-13/h13H,2-9H2,1H3
InChIKeyURWJOZGDHQPGQI-UHFFFAOYSA-N
XLogP-0.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one (CID 15838679) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one?
The InChIKey is URWJOZGDHQPGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-10(14)12-6-4-11(5-7-12)8-9-13/h13H,2-9H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one?
1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one has a molecular weight of 200.28 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 15838679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).