3,3,4,6,6-pentamethylpiperazin-2-one

C9H18N2O — CID 117023858

IUPAC3,3,4,6,6-pentamethylpiperazin-2-one
SMILESCN1CC(C)(C)NC(=O)C1(C)C
InChIInChI=1S/C9H18N2O/c1-8(2)6-11(5)9(3,4)7(12)10-8/h6H2,1-5H3,(H,10,12)
InChIKeyWEWXPBRHNKSTPH-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds

About 3,3,4,6,6-pentamethylpiperazin-2-one

3,3,4,6,6-pentamethylpiperazin-2-one (PubChem CID 117023858) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3,3,4,6,6-pentamethylpiperazin-2-one.

Molecular Properties

Compound Name3,3,4,6,6-pentamethylpiperazin-2-one
PubChem CID117023858
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3,3,4,6,6-pentamethylpiperazin-2-one
SMILESCN1CC(C)(C)NC(=O)C1(C)C
InChIInChI=1S/C9H18N2O/c1-8(2)6-11(5)9(3,4)7(12)10-8/h6H2,1-5H3,(H,10,12)
InChIKeyWEWXPBRHNKSTPH-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,6,6-pentamethylpiperazin-2-one?
The IUPAC name of 3,3,4,6,6-pentamethylpiperazin-2-one (CID 117023858) is 3,3,4,6,6-pentamethylpiperazin-2-one.
What is the SMILES notation for 3,3,4,6,6-pentamethylpiperazin-2-one?
The canonical SMILES for 3,3,4,6,6-pentamethylpiperazin-2-one is CN1CC(C)(C)NC(=O)C1(C)C.
What is the InChIKey of 3,3,4,6,6-pentamethylpiperazin-2-one?
The InChIKey is WEWXPBRHNKSTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(2)6-11(5)9(3,4)7(12)10-8/h6H2,1-5H3,(H,10,12).
What are the key properties of 3,3,4,6,6-pentamethylpiperazin-2-one?
3,3,4,6,6-pentamethylpiperazin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,6,6-pentamethylpiperazin-2-one is sourced from PubChem (CID 117023858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).