1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2,3-trimethylbutan-1-one

C13H26N2O2 — CID 69470748

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2,3-trimethylbutan-1-one
SMILESCC(C)C(C)(C)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)13(3,4)12(17)15-7-5-14(6-8-15)9-10-16/h11,16H,5-10H2,1-4H3
InChIKeyROMOAGDCBJMMSR-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.81
Rot. Bonds4

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2,3-trimethylbutan-1-one

1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2,3-trimethylbutan-1-one (PubChem CID 69470748) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2,3-trimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2,3-trimethylbutan-1-one
PubChem CID69470748
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2,3-trimethylbutan-1-one
SMILESCC(C)C(C)(C)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)13(3,4)12(17)15-7-5-14(6-8-15)9-10-16/h11,16H,5-10H2,1-4H3
InChIKeyROMOAGDCBJMMSR-UHFFFAOYSA-N
XLogP0.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.81
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]-2,2,3-trimethylbutan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2,3-trimethylbutan-1-one (CID 69470748) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2,3-trimethylbutan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2,3-trimethylbutan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2,3-trimethylbutan-1-one is CC(C)C(C)(C)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2,3-trimethylbutan-1-one?
The InChIKey is ROMOAGDCBJMMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)13(3,4)12(17)15-7-5-14(6-8-15)9-10-16/h11,16H,5-10H2,1-4H3.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2,3-trimethylbutan-1-one?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2,3-trimethylbutan-1-one has a molecular weight of 242.36 g/mol, XLogP of 0.81, 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]-2,2,3-trimethylbutan-1-one is sourced from PubChem (CID 69470748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).