1-(2-hydroxy-2-methylpropyl)-3,3,4,5,5-pentamethylpiperazin-2-one

C13H26N2O2 — CID 21055547

IUPAC1-(2-hydroxy-2-methylpropyl)-3,3,4,5,5-pentamethylpiperazin-2-one
SMILESCN1C(C)(C)CN(CC(C)(C)O)C(=O)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-11(2)8-15(9-12(3,4)17)10(16)13(5,6)14(11)7/h17H,8-9H2,1-7H3
InChIKeyCWAWQALJRKPKPZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.09
Rot. Bonds2

About 1-(2-hydroxy-2-methylpropyl)-3,3,4,5,5-pentamethylpiperazin-2-one

1-(2-hydroxy-2-methylpropyl)-3,3,4,5,5-pentamethylpiperazin-2-one (PubChem CID 21055547) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-3,3,4,5,5-pentamethylpiperazin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-3,3,4,5,5-pentamethylpiperazin-2-one
PubChem CID21055547
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(2-hydroxy-2-methylpropyl)-3,3,4,5,5-pentamethylpiperazin-2-one
SMILESCN1C(C)(C)CN(CC(C)(C)O)C(=O)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-11(2)8-15(9-12(3,4)17)10(16)13(5,6)14(11)7/h17H,8-9H2,1-7H3
InChIKeyCWAWQALJRKPKPZ-UHFFFAOYSA-N
XLogP1.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3,3,4,5,5-pentamethylpiperazin-2-one?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3,3,4,5,5-pentamethylpiperazin-2-one (CID 21055547) is 1-(2-hydroxy-2-methylpropyl)-3,3,4,5,5-pentamethylpiperazin-2-one.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-3,3,4,5,5-pentamethylpiperazin-2-one?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-3,3,4,5,5-pentamethylpiperazin-2-one is CN1C(C)(C)CN(CC(C)(C)O)C(=O)C1(C)C.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-3,3,4,5,5-pentamethylpiperazin-2-one?
The InChIKey is CWAWQALJRKPKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)8-15(9-12(3,4)17)10(16)13(5,6)14(11)7/h17H,8-9H2,1-7H3.
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-3,3,4,5,5-pentamethylpiperazin-2-one?
1-(2-hydroxy-2-methylpropyl)-3,3,4,5,5-pentamethylpiperazin-2-one has a molecular weight of 242.36 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-3,3,4,5,5-pentamethylpiperazin-2-one is sourced from PubChem (CID 21055547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).