3,3-dimethyl-1-piperazin-1-ylbutan-2-one

C10H20N2O — CID 16769368

IUPAC3,3-dimethyl-1-piperazin-1-ylbutan-2-one
SMILESCC(C)(C)C(=O)CN1CCNCC1
InChIInChI=1S/C10H20N2O/c1-10(2,3)9(13)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKeyJLBKUCZVQDCILY-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.51
Rot. Bonds2

About 3,3-dimethyl-1-piperazin-1-ylbutan-2-one

3,3-dimethyl-1-piperazin-1-ylbutan-2-one (PubChem CID 16769368) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-piperazin-1-ylbutan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-piperazin-1-ylbutan-2-one
PubChem CID16769368
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3,3-dimethyl-1-piperazin-1-ylbutan-2-one
SMILESCC(C)(C)C(=O)CN1CCNCC1
InChIInChI=1S/C10H20N2O/c1-10(2,3)9(13)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKeyJLBKUCZVQDCILY-UHFFFAOYSA-N
XLogP0.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-piperazin-1-ylbutan-2-one?
The IUPAC name of 3,3-dimethyl-1-piperazin-1-ylbutan-2-one (CID 16769368) is 3,3-dimethyl-1-piperazin-1-ylbutan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-piperazin-1-ylbutan-2-one?
The canonical SMILES for 3,3-dimethyl-1-piperazin-1-ylbutan-2-one is CC(C)(C)C(=O)CN1CCNCC1.
What is the InChIKey of 3,3-dimethyl-1-piperazin-1-ylbutan-2-one?
The InChIKey is JLBKUCZVQDCILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,3)9(13)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-piperazin-1-ylbutan-2-one?
3,3-dimethyl-1-piperazin-1-ylbutan-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-piperazin-1-ylbutan-2-one is sourced from PubChem (CID 16769368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).