3,3-dimethylpiperazin-2-one;ethane

C8H18N2O — CID 91488380

IUPAC3,3-dimethylpiperazin-2-one;ethane
SMILESCC.CC1(C)NCCNC1=O
InChIInChI=1S/C6H12N2O.C2H6/c1-6(2)5(9)7-3-4-8-6;1-2/h8H,3-4H2,1-2H3,(H,7,9);1-2H3
InChIKeyNGHMBXSKLAACBP-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.51
Rot. Bonds

About 3,3-dimethylpiperazin-2-one;ethane

3,3-dimethylpiperazin-2-one;ethane (PubChem CID 91488380) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3,3-dimethylpiperazin-2-one;ethane.

Molecular Properties

Compound Name3,3-dimethylpiperazin-2-one;ethane
PubChem CID91488380
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3,3-dimethylpiperazin-2-one;ethane
SMILESCC.CC1(C)NCCNC1=O
InChIInChI=1S/C6H12N2O.C2H6/c1-6(2)5(9)7-3-4-8-6;1-2/h8H,3-4H2,1-2H3,(H,7,9);1-2H3
InChIKeyNGHMBXSKLAACBP-UHFFFAOYSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpiperazin-2-one;ethane?
The IUPAC name of 3,3-dimethylpiperazin-2-one;ethane (CID 91488380) is 3,3-dimethylpiperazin-2-one;ethane.
What is the SMILES notation for 3,3-dimethylpiperazin-2-one;ethane?
The canonical SMILES for 3,3-dimethylpiperazin-2-one;ethane is CC.CC1(C)NCCNC1=O.
What is the InChIKey of 3,3-dimethylpiperazin-2-one;ethane?
The InChIKey is NGHMBXSKLAACBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2H6/c1-6(2)5(9)7-3-4-8-6;1-2/h8H,3-4H2,1-2H3,(H,7,9);1-2H3.
What are the key properties of 3,3-dimethylpiperazin-2-one;ethane?
3,3-dimethylpiperazin-2-one;ethane has a molecular weight of 158.24 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpiperazin-2-one;ethane is sourced from PubChem (CID 91488380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).