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

C11H22N2O2 — CID 2995934

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)10(15)13-6-4-12(5-7-13)8-9-14/h14H,4-9H2,1-3H3
InChIKeyXIGIUVUQYJHBMT-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.17
Rot. Bonds2

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

1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 2995934) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID2995934
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)10(15)13-6-4-12(5-7-13)8-9-14/h14H,4-9H2,1-3H3
InChIKeyXIGIUVUQYJHBMT-UHFFFAOYSA-N
XLogP0.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.17
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-dimethylpropan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 2995934) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is XIGIUVUQYJHBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)10(15)13-6-4-12(5-7-13)8-9-14/h14H,4-9H2,1-3H3.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.17, 2 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-dimethylpropan-1-one is sourced from PubChem (CID 2995934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).