1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;ethane;4-methylmorpholine;1-methylpyrrolidine

C24H54N6O2 — CID 158950728

IUPAC1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;ethane;4-methylmorpholine;1-methylpyrrolidine
SMILESCC.CN1CCCC1.CN1CCN(C)C(=O)C1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/C6H12N2O.C6H14N2.C5H11NO.C5H11N.C2H6/c1-7-3-4-8(2)6(9)5-7;1-7-3-5-8(2)6-4-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-2/h3-5H2,1-2H3;3-6H2,1-2H3;2-5H2,1H3;2-5H2,1H3;1-2H3
InChIKeyJLJUYZAJCXGJJA-UHFFFAOYSA-N
MW458.74 g/mol
LogP0.94
Rot. Bonds

About 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;ethane;4-methylmorpholine;1-methylpyrrolidine

1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;ethane;4-methylmorpholine;1-methylpyrrolidine (PubChem CID 158950728) has the molecular formula C24H54N6O2 and a molecular weight of 458.74 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;ethane;4-methylmorpholine;1-methylpyrrolidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;ethane;4-methylmorpholine;1-methylpyrrolidine
PubChem CID158950728
Molecular FormulaC24H54N6O2
Molecular Weight458.74 g/mol
Exact Mass458.43
IUPAC Name1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;ethane;4-methylmorpholine;1-methylpyrrolidine
SMILESCC.CN1CCCC1.CN1CCN(C)C(=O)C1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/C6H12N2O.C6H14N2.C5H11NO.C5H11N.C2H6/c1-7-3-4-8(2)6(9)5-7;1-7-3-5-8(2)6-4-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-2/h3-5H2,1-2H3;3-6H2,1-2H3;2-5H2,1H3;2-5H2,1H3;1-2H3
InChIKeyJLJUYZAJCXGJJA-UHFFFAOYSA-N
XLogP0.94
TPSA45.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.74
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;ethane;4-methylmorpholine;1-methylpyrrolidine?
The IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;ethane;4-methylmorpholine;1-methylpyrrolidine (CID 158950728) is 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;ethane;4-methylmorpholine;1-methylpyrrolidine.
What is the SMILES notation for 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;ethane;4-methylmorpholine;1-methylpyrrolidine?
The canonical SMILES for 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;ethane;4-methylmorpholine;1-methylpyrrolidine is CC.CN1CCCC1.CN1CCN(C)C(=O)C1.CN1CCN(C)CC1.CN1CCOCC1.
What is the InChIKey of 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;ethane;4-methylmorpholine;1-methylpyrrolidine?
The InChIKey is JLJUYZAJCXGJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C6H14N2.C5H11NO.C5H11N.C2H6/c1-7-3-4-8(2)6(9)5-7;1-7-3-5-8(2)6-4-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-2/h3-5H2,1-2H3;3-6H2,1-2H3;2-5H2,1H3;2-5H2,1H3;1-2H3.
What are the key properties of 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;ethane;4-methylmorpholine;1-methylpyrrolidine?
1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;ethane;4-methylmorpholine;1-methylpyrrolidine has a molecular weight of 458.74 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;ethane;4-methylmorpholine;1-methylpyrrolidine is sourced from PubChem (CID 158950728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).