1,4-bis(methoxymethyl)-5,5-dimethylpiperazin-2-one

C10H20N2O3 — CID 118459780

IUPAC1,4-bis(methoxymethyl)-5,5-dimethylpiperazin-2-one
SMILESCOCN1CC(C)(C)N(COC)CC1=O
InChIInChI=1S/C10H20N2O3/c1-10(2)6-11(7-14-3)9(13)5-12(10)8-15-4/h5-8H2,1-4H3
InChIKeyMPXJLGABAUUZEB-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.12
Rot. Bonds4

About 1,4-bis(methoxymethyl)-5,5-dimethylpiperazin-2-one

1,4-bis(methoxymethyl)-5,5-dimethylpiperazin-2-one (PubChem CID 118459780) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1,4-bis(methoxymethyl)-5,5-dimethylpiperazin-2-one.

Molecular Properties

Compound Name1,4-bis(methoxymethyl)-5,5-dimethylpiperazin-2-one
PubChem CID118459780
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1,4-bis(methoxymethyl)-5,5-dimethylpiperazin-2-one
SMILESCOCN1CC(C)(C)N(COC)CC1=O
InChIInChI=1S/C10H20N2O3/c1-10(2)6-11(7-14-3)9(13)5-12(10)8-15-4/h5-8H2,1-4H3
InChIKeyMPXJLGABAUUZEB-UHFFFAOYSA-N
XLogP0.12
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(methoxymethyl)-5,5-dimethylpiperazin-2-one?
The IUPAC name of 1,4-bis(methoxymethyl)-5,5-dimethylpiperazin-2-one (CID 118459780) is 1,4-bis(methoxymethyl)-5,5-dimethylpiperazin-2-one.
What is the SMILES notation for 1,4-bis(methoxymethyl)-5,5-dimethylpiperazin-2-one?
The canonical SMILES for 1,4-bis(methoxymethyl)-5,5-dimethylpiperazin-2-one is COCN1CC(C)(C)N(COC)CC1=O.
What is the InChIKey of 1,4-bis(methoxymethyl)-5,5-dimethylpiperazin-2-one?
The InChIKey is MPXJLGABAUUZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2)6-11(7-14-3)9(13)5-12(10)8-15-4/h5-8H2,1-4H3.
What are the key properties of 1,4-bis(methoxymethyl)-5,5-dimethylpiperazin-2-one?
1,4-bis(methoxymethyl)-5,5-dimethylpiperazin-2-one has a molecular weight of 216.28 g/mol, XLogP of 0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(methoxymethyl)-5,5-dimethylpiperazin-2-one is sourced from PubChem (CID 118459780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).