3,3,6,6-tetramethyl-4-propan-2-ylpiperazin-2-one

C11H22N2O — CID 12581000

IUPAC3,3,6,6-tetramethyl-4-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CC(C)(C)NC(=O)C1(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)13-7-10(3,4)12-9(14)11(13,5)6/h8H,7H2,1-6H3,(H,12,14)
InChIKeyXQWIULYKMVJNQD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.38
Rot. Bonds1

About 3,3,6,6-tetramethyl-4-propan-2-ylpiperazin-2-one

3,3,6,6-tetramethyl-4-propan-2-ylpiperazin-2-one (PubChem CID 12581000) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-4-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-4-propan-2-ylpiperazin-2-one
PubChem CID12581000
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3,3,6,6-tetramethyl-4-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CC(C)(C)NC(=O)C1(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)13-7-10(3,4)12-9(14)11(13,5)6/h8H,7H2,1-6H3,(H,12,14)
InChIKeyXQWIULYKMVJNQD-UHFFFAOYSA-N
XLogP1.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-4-propan-2-ylpiperazin-2-one?
The IUPAC name of 3,3,6,6-tetramethyl-4-propan-2-ylpiperazin-2-one (CID 12581000) is 3,3,6,6-tetramethyl-4-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 3,3,6,6-tetramethyl-4-propan-2-ylpiperazin-2-one?
The canonical SMILES for 3,3,6,6-tetramethyl-4-propan-2-ylpiperazin-2-one is CC(C)N1CC(C)(C)NC(=O)C1(C)C.
What is the InChIKey of 3,3,6,6-tetramethyl-4-propan-2-ylpiperazin-2-one?
The InChIKey is XQWIULYKMVJNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)13-7-10(3,4)12-9(14)11(13,5)6/h8H,7H2,1-6H3,(H,12,14).
What are the key properties of 3,3,6,6-tetramethyl-4-propan-2-ylpiperazin-2-one?
3,3,6,6-tetramethyl-4-propan-2-ylpiperazin-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-4-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 12581000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).