1,4-dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane

C45H106N10O7 — CID 157133118

IUPAC1,4-dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane
SMILESC.C.C.C.C.CC.CC.CC.CC.CC.CN1CC(=O)N(C)C(=O)C1.CN1CC(=O)N(C)CC1=O.CN1CCN(C)C(=O)C1.CN1CCN(C)C(=O)C1=O.CN1CCN(C)CC1
InChIInChI=1S/3C6H10N2O2.C6H12N2O.C6H14N2.5C2H6.5CH4/c1-7-3-6(10)8(2)4-5(7)9;1-7-3-5(9)8(2)6(10)4-7;1-7-3-4-8(2)6(10)5(7)9;1-7-3-4-8(2)6(9)5-7;1-7-3-5-8(2)6-4-7;5*1-2;;;;;/h3*3-4H2,1-2H3;3-5H2,1-2H3;3-6H2,1-2H3;5*1-2H3;5*1H4
InChIKeyAJHNGXICDLGNSN-UHFFFAOYSA-N
MW899.41 g/mol
LogP4.32
Rot. Bonds

About 1,4-dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane

1,4-dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane (PubChem CID 157133118) has the molecular formula C45H106N10O7 and a molecular weight of 899.41 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane
PubChem CID157133118
Molecular FormulaC45H106N10O7
Molecular Weight899.41 g/mol
Exact Mass898.82
IUPAC Name1,4-dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane
SMILESC.C.C.C.C.CC.CC.CC.CC.CC.CN1CC(=O)N(C)C(=O)C1.CN1CC(=O)N(C)CC1=O.CN1CCN(C)C(=O)C1.CN1CCN(C)C(=O)C1=O.CN1CCN(C)CC1
InChIInChI=1S/3C6H10N2O2.C6H12N2O.C6H14N2.5C2H6.5CH4/c1-7-3-6(10)8(2)4-5(7)9;1-7-3-5(9)8(2)6(10)4-7;1-7-3-4-8(2)6(10)5(7)9;1-7-3-4-8(2)6(9)5-7;1-7-3-5-8(2)6-4-7;5*1-2;;;;;/h3*3-4H2,1-2H3;3-5H2,1-2H3;3-6H2,1-2H3;5*1-2H3;5*1H4
InChIKeyAJHNGXICDLGNSN-UHFFFAOYSA-N
XLogP4.32
TPSA151.89 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1,4-dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane with MolForge

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Related Compounds

1,2-Bis[4-(N-methylpiperazinomethyl)-3,5-dioxopiperazin-1-yl]-ethane
CID 13474239
3-(4-Methylpiperazin-1-yl)-1-[4-[3-[4-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]piperazin-1-yl]propanoyl]piperazin-1-yl]propan-1-one
CID 22086287
1-Acetyl-4-methylpiperazin-2-one;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone
CID 90700457
Methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
Ethane;3-(4-methylpiperazin-1-yl)-1-[4-[3-[4-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]piperazin-1-yl]propanoyl]piperazin-1-yl]propan-1-one
CID 157188147
1-Ethyl-2,4-dimethylpiperazine;4-ethyl-1,2-dimethylpiperazine;1-ethyl-4-methylpiperazine;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;1-ethyl-2,3,4-trimethylpiperazine;1-ethyl-2,4,6-trimethylpiperazine;4-ethyl-1,2,6-trimethylpiperazine
CID 157371970
CID 157844819
CID 157844819
Ethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane
CID 158087941
CID 159169093
CID 159169093
Methane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 160808307
CID 160964399
CID 160964399
CID 161300721
CID 161300721

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane?
The IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane (CID 157133118) is 1,4-dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane.
What is the SMILES notation for 1,4-dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane?
The canonical SMILES for 1,4-dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane is C.C.C.C.C.CC.CC.CC.CC.CC.CN1CC(=O)N(C)C(=O)C1.CN1CC(=O)N(C)CC1=O.CN1CCN(C)C(=O)C1.CN1CCN(C)C(=O)C1=O.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane?
The InChIKey is AJHNGXICDLGNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H10N2O2.C6H12N2O.C6H14N2.5C2H6.5CH4/c1-7-3-6(10)8(2)4-5(7)9;1-7-3-5(9)8(2)6(10)4-7;1-7-3-4-8(2)6(10)5(7)9;1-7-3-4-8(2)6(9)5-7;1-7-3-5-8(2)6-4-7;5*1-2;;;;;/h3*3-4H2,1-2H3;3-5H2,1-2H3;3-6H2,1-2H3;5*1-2H3;5*1H4.
What are the key properties of 1,4-dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane?
1,4-dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane has a molecular weight of 899.41 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane is sourced from PubChem (CID 157133118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).