4-hydroxy-1,3,3,5,5-pentamethylpiperazin-2-one

C9H18N2O2 — CID 59113758

IUPAC4-hydroxy-1,3,3,5,5-pentamethylpiperazin-2-one
SMILESCN1CC(C)(C)N(O)C(C)(C)C1=O
InChIInChI=1S/C9H18N2O2/c1-8(2)6-10(5)7(12)9(3,4)11(8)13/h13H,6H2,1-5H3
InChIKeyPFJVUDPDVYEPBY-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.71
Rot. Bonds

About 4-hydroxy-1,3,3,5,5-pentamethylpiperazin-2-one

4-hydroxy-1,3,3,5,5-pentamethylpiperazin-2-one (PubChem CID 59113758) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-hydroxy-1,3,3,5,5-pentamethylpiperazin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,3,3,5,5-pentamethylpiperazin-2-one
PubChem CID59113758
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-hydroxy-1,3,3,5,5-pentamethylpiperazin-2-one
SMILESCN1CC(C)(C)N(O)C(C)(C)C1=O
InChIInChI=1S/C9H18N2O2/c1-8(2)6-10(5)7(12)9(3,4)11(8)13/h13H,6H2,1-5H3
InChIKeyPFJVUDPDVYEPBY-UHFFFAOYSA-N
XLogP0.71
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3,3,5,5-pentamethylpiperazin-2-one?
The IUPAC name of 4-hydroxy-1,3,3,5,5-pentamethylpiperazin-2-one (CID 59113758) is 4-hydroxy-1,3,3,5,5-pentamethylpiperazin-2-one.
What is the SMILES notation for 4-hydroxy-1,3,3,5,5-pentamethylpiperazin-2-one?
The canonical SMILES for 4-hydroxy-1,3,3,5,5-pentamethylpiperazin-2-one is CN1CC(C)(C)N(O)C(C)(C)C1=O.
What is the InChIKey of 4-hydroxy-1,3,3,5,5-pentamethylpiperazin-2-one?
The InChIKey is PFJVUDPDVYEPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(2)6-10(5)7(12)9(3,4)11(8)13/h13H,6H2,1-5H3.
What are the key properties of 4-hydroxy-1,3,3,5,5-pentamethylpiperazin-2-one?
4-hydroxy-1,3,3,5,5-pentamethylpiperazin-2-one has a molecular weight of 186.25 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3,3,5,5-pentamethylpiperazin-2-one is sourced from PubChem (CID 59113758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).