1-tert-butyl-4-hydroxy-3,3,5,5-tetramethylpiperazin-2-one

C12H24N2O2 — CID 20681103

IUPAC1-tert-butyl-4-hydroxy-3,3,5,5-tetramethylpiperazin-2-one
SMILESCC(C)(C)N1CC(C)(C)N(O)C(C)(C)C1=O
InChIInChI=1S/C12H24N2O2/c1-10(2,3)13-8-11(4,5)14(16)12(6,7)9(13)15/h16H,8H2,1-7H3
InChIKeyWSPWGMHHWFSJOI-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.88
Rot. Bonds

About 1-tert-butyl-4-hydroxy-3,3,5,5-tetramethylpiperazin-2-one

1-tert-butyl-4-hydroxy-3,3,5,5-tetramethylpiperazin-2-one (PubChem CID 20681103) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-tert-butyl-4-hydroxy-3,3,5,5-tetramethylpiperazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-hydroxy-3,3,5,5-tetramethylpiperazin-2-one
PubChem CID20681103
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-tert-butyl-4-hydroxy-3,3,5,5-tetramethylpiperazin-2-one
SMILESCC(C)(C)N1CC(C)(C)N(O)C(C)(C)C1=O
InChIInChI=1S/C12H24N2O2/c1-10(2,3)13-8-11(4,5)14(16)12(6,7)9(13)15/h16H,8H2,1-7H3
InChIKeyWSPWGMHHWFSJOI-UHFFFAOYSA-N
XLogP1.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-hydroxy-3,3,5,5-tetramethylpiperazin-2-one?
The IUPAC name of 1-tert-butyl-4-hydroxy-3,3,5,5-tetramethylpiperazin-2-one (CID 20681103) is 1-tert-butyl-4-hydroxy-3,3,5,5-tetramethylpiperazin-2-one.
What is the SMILES notation for 1-tert-butyl-4-hydroxy-3,3,5,5-tetramethylpiperazin-2-one?
The canonical SMILES for 1-tert-butyl-4-hydroxy-3,3,5,5-tetramethylpiperazin-2-one is CC(C)(C)N1CC(C)(C)N(O)C(C)(C)C1=O.
What is the InChIKey of 1-tert-butyl-4-hydroxy-3,3,5,5-tetramethylpiperazin-2-one?
The InChIKey is WSPWGMHHWFSJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2,3)13-8-11(4,5)14(16)12(6,7)9(13)15/h16H,8H2,1-7H3.
What are the key properties of 1-tert-butyl-4-hydroxy-3,3,5,5-tetramethylpiperazin-2-one?
1-tert-butyl-4-hydroxy-3,3,5,5-tetramethylpiperazin-2-one has a molecular weight of 228.34 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-hydroxy-3,3,5,5-tetramethylpiperazin-2-one is sourced from PubChem (CID 20681103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).