3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one

C11H22N2O2 — CID 106456403

IUPAC3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one
SMILESCCCOCCN1CCNC(C)(C)C1=O
InChIInChI=1S/C11H22N2O2/c1-4-8-15-9-7-13-6-5-12-11(2,3)10(13)14/h12H,4-9H2,1-3H3
InChIKeyZSGWGDPZYABEEL-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds5

About 3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one

3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one (PubChem CID 106456403) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one
PubChem CID106456403
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one
SMILESCCCOCCN1CCNC(C)(C)C1=O
InChIInChI=1S/C11H22N2O2/c1-4-8-15-9-7-13-6-5-12-11(2,3)10(13)14/h12H,4-9H2,1-3H3
InChIKeyZSGWGDPZYABEEL-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one (CID 106456403) is 3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one is CCCOCCN1CCNC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one?
The InChIKey is ZSGWGDPZYABEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-8-15-9-7-13-6-5-12-11(2,3)10(13)14/h12H,4-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one?
3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one is sourced from PubChem (CID 106456403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).