1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine

C12H26N4 — CID 22505885

IUPAC1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
SMILESCN1CCN(CCN2CCN(C)CC2)CC1
InChIInChI=1S/C12H26N4/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3-12H2,1-2H3
InChIKeySURKZLRVHBVHAC-UHFFFAOYSA-N
MW226.37 g/mol
LogP-0.52
Rot. Bonds3

About 1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine

1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine (PubChem CID 22505885) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
PubChem CID22505885
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
SMILESCN1CCN(CCN2CCN(C)CC2)CC1
InChIInChI=1S/C12H26N4/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3-12H2,1-2H3
InChIKeySURKZLRVHBVHAC-UHFFFAOYSA-N
XLogP-0.52
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine (CID 22505885) is 1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine is CN1CCN(CCN2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine?
The InChIKey is SURKZLRVHBVHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3-12H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine?
1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine has a molecular weight of 226.37 g/mol, XLogP of -0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine is sourced from PubChem (CID 22505885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).