5-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one

C13H26N2O2 — CID 134975578

IUPAC5-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one
SMILESCCC1(C)CN(C(C)(C)CO)C(=O)C(C)(C)N1
InChIInChI=1S/C13H26N2O2/c1-7-13(6)8-15(11(2,3)9-16)10(17)12(4,5)14-13/h14,16H,7-9H2,1-6H3
InChIKeyQYRRZQILEHHLOS-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.14
Rot. Bonds3

About 5-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one

5-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one (PubChem CID 134975578) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one.

Molecular Properties

Compound Name5-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one
PubChem CID134975578
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name5-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one
SMILESCCC1(C)CN(C(C)(C)CO)C(=O)C(C)(C)N1
InChIInChI=1S/C13H26N2O2/c1-7-13(6)8-15(11(2,3)9-16)10(17)12(4,5)14-13/h14,16H,7-9H2,1-6H3
InChIKeyQYRRZQILEHHLOS-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one?
The IUPAC name of 5-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one (CID 134975578) is 5-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one.
What is the SMILES notation for 5-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one?
The canonical SMILES for 5-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one is CCC1(C)CN(C(C)(C)CO)C(=O)C(C)(C)N1.
What is the InChIKey of 5-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one?
The InChIKey is QYRRZQILEHHLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-7-13(6)8-15(11(2,3)9-16)10(17)12(4,5)14-13/h14,16H,7-9H2,1-6H3.
What are the key properties of 5-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one?
5-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one has a molecular weight of 242.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one is sourced from PubChem (CID 134975578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).