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

C13H28N4 — CID 167170043

IUPAC1-methyl-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]piperazine
SMILESCN1CCN(C(C)(C)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H28N4/c1-13(2,16-9-5-14(3)6-10-16)17-11-7-15(4)8-12-17/h5-12H2,1-4H3
InChIKeyGEGILLIWZOOPMT-UHFFFAOYSA-N
MW240.39 g/mol
LogP0.22
Rot. Bonds2

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

1-methyl-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]piperazine (PubChem CID 167170043) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]piperazine
PubChem CID167170043
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-methyl-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]piperazine
SMILESCN1CCN(C(C)(C)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H28N4/c1-13(2,16-9-5-14(3)6-10-16)17-11-7-15(4)8-12-17/h5-12H2,1-4H3
InChIKeyGEGILLIWZOOPMT-UHFFFAOYSA-N
XLogP0.22
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]piperazine?
The IUPAC name of 1-methyl-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]piperazine (CID 167170043) is 1-methyl-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]piperazine is CN1CCN(C(C)(C)N2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]piperazine?
The InChIKey is GEGILLIWZOOPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-13(2,16-9-5-14(3)6-10-16)17-11-7-15(4)8-12-17/h5-12H2,1-4H3.
What are the key properties of 1-methyl-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]piperazine?
1-methyl-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]piperazine has a molecular weight of 240.39 g/mol, XLogP of 0.22, 2 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)propan-2-yl]piperazine is sourced from PubChem (CID 167170043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).