1,2-dimethylpiperazine;ethane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine

C24H56N4O2 — CID 145382882

IUPAC1,2-dimethylpiperazine;ethane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine
SMILESCC.CC.CC(C)C1CNCCO1.CC(C)C1COCCN1.CC1CNCCN1C
InChIInChI=1S/2C7H15NO.C6H14N2.2C2H6/c1-6(2)7-5-9-4-3-8-7;1-6(2)7-5-8-3-4-9-7;1-6-5-7-3-4-8(6)2;2*1-2/h2*6-8H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;2*1-2H3
InChIKeyOXEKDDFJOSKWBB-UHFFFAOYSA-N
MW432.74 g/mol
LogP3.22
Rot. Bonds2

About 1,2-dimethylpiperazine;ethane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine

1,2-dimethylpiperazine;ethane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine (PubChem CID 145382882) has the molecular formula C24H56N4O2 and a molecular weight of 432.74 g/mol. Its IUPAC name is 1,2-dimethylpiperazine;ethane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine.

Molecular Properties

Compound Name1,2-dimethylpiperazine;ethane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine
PubChem CID145382882
Molecular FormulaC24H56N4O2
Molecular Weight432.74 g/mol
Exact Mass432.44
IUPAC Name1,2-dimethylpiperazine;ethane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine
SMILESCC.CC.CC(C)C1CNCCO1.CC(C)C1COCCN1.CC1CNCCN1C
InChIInChI=1S/2C7H15NO.C6H14N2.2C2H6/c1-6(2)7-5-9-4-3-8-7;1-6(2)7-5-8-3-4-9-7;1-6-5-7-3-4-8(6)2;2*1-2/h2*6-8H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;2*1-2H3
InChIKeyOXEKDDFJOSKWBB-UHFFFAOYSA-N
XLogP3.22
TPSA57.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.74
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpiperazine;ethane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine?
The IUPAC name of 1,2-dimethylpiperazine;ethane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine (CID 145382882) is 1,2-dimethylpiperazine;ethane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine.
What is the SMILES notation for 1,2-dimethylpiperazine;ethane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine?
The canonical SMILES for 1,2-dimethylpiperazine;ethane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine is CC.CC.CC(C)C1CNCCO1.CC(C)C1COCCN1.CC1CNCCN1C.
What is the InChIKey of 1,2-dimethylpiperazine;ethane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine?
The InChIKey is OXEKDDFJOSKWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15NO.C6H14N2.2C2H6/c1-6(2)7-5-9-4-3-8-7;1-6(2)7-5-8-3-4-9-7;1-6-5-7-3-4-8(6)2;2*1-2/h2*6-8H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of 1,2-dimethylpiperazine;ethane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine?
1,2-dimethylpiperazine;ethane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine has a molecular weight of 432.74 g/mol, XLogP of 3.22, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpiperazine;ethane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine is sourced from PubChem (CID 145382882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).