2,2-dimethylpiperazine;2-ethyl-2-methylmorpholine

C13H29N3O — CID 156889905

IUPAC2,2-dimethylpiperazine;2-ethyl-2-methylmorpholine
SMILESCC1(C)CNCCN1.CCC1(C)CNCCO1
InChIInChI=1S/C7H15NO.C6H14N2/c1-3-7(2)6-8-4-5-9-7;1-6(2)5-7-3-4-8-6/h8H,3-6H2,1-2H3;7-8H,3-5H2,1-2H3
InChIKeyLLEPNLTVGPHNGL-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.73
Rot. Bonds1

About 2,2-dimethylpiperazine;2-ethyl-2-methylmorpholine

2,2-dimethylpiperazine;2-ethyl-2-methylmorpholine (PubChem CID 156889905) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2,2-dimethylpiperazine;2-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name2,2-dimethylpiperazine;2-ethyl-2-methylmorpholine
PubChem CID156889905
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2,2-dimethylpiperazine;2-ethyl-2-methylmorpholine
SMILESCC1(C)CNCCN1.CCC1(C)CNCCO1
InChIInChI=1S/C7H15NO.C6H14N2/c1-3-7(2)6-8-4-5-9-7;1-6(2)5-7-3-4-8-6/h8H,3-6H2,1-2H3;7-8H,3-5H2,1-2H3
InChIKeyLLEPNLTVGPHNGL-UHFFFAOYSA-N
XLogP0.73
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpiperazine;2-ethyl-2-methylmorpholine?
The IUPAC name of 2,2-dimethylpiperazine;2-ethyl-2-methylmorpholine (CID 156889905) is 2,2-dimethylpiperazine;2-ethyl-2-methylmorpholine.
What is the SMILES notation for 2,2-dimethylpiperazine;2-ethyl-2-methylmorpholine?
The canonical SMILES for 2,2-dimethylpiperazine;2-ethyl-2-methylmorpholine is CC1(C)CNCCN1.CCC1(C)CNCCO1.
What is the InChIKey of 2,2-dimethylpiperazine;2-ethyl-2-methylmorpholine?
The InChIKey is LLEPNLTVGPHNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C6H14N2/c1-3-7(2)6-8-4-5-9-7;1-6(2)5-7-3-4-8-6/h8H,3-6H2,1-2H3;7-8H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethylpiperazine;2-ethyl-2-methylmorpholine?
2,2-dimethylpiperazine;2-ethyl-2-methylmorpholine has a molecular weight of 243.39 g/mol, XLogP of 0.73, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpiperazine;2-ethyl-2-methylmorpholine is sourced from PubChem (CID 156889905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).