1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine

C12H26N2OS — CID 75431601

IUPAC1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine
SMILESCOCCN1C(C)CN(CCSC)CC1C
InChIInChI=1S/C12H26N2OS/c1-11-9-13(6-8-16-4)10-12(2)14(11)5-7-15-3/h11-12H,5-10H2,1-4H3
InChIKeyIJJGMTKXUGXNEA-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.39
Rot. Bonds6

About 1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine

1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine (PubChem CID 75431601) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine
PubChem CID75431601
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine
SMILESCOCCN1C(C)CN(CCSC)CC1C
InChIInChI=1S/C12H26N2OS/c1-11-9-13(6-8-16-4)10-12(2)14(11)5-7-15-3/h11-12H,5-10H2,1-4H3
InChIKeyIJJGMTKXUGXNEA-UHFFFAOYSA-N
XLogP1.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine?
The IUPAC name of 1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine (CID 75431601) is 1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine is COCCN1C(C)CN(CCSC)CC1C.
What is the InChIKey of 1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine?
The InChIKey is IJJGMTKXUGXNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-11-9-13(6-8-16-4)10-12(2)14(11)5-7-15-3/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine?
1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine has a molecular weight of 246.42 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine is sourced from PubChem (CID 75431601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).