2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone

C11H22N4O — CID 24690947

IUPAC2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone
SMILESCN1CCN(CC(=O)N2CCNCC2)CC1
InChIInChI=1S/C11H22N4O/c1-13-6-8-14(9-7-13)10-11(16)15-4-2-12-3-5-15/h12H,2-10H2,1H3
InChIKeyPXRIGLBUILCOHB-UHFFFAOYSA-N
MW226.32 g/mol
LogP-1.33
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone

2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone (PubChem CID 24690947) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone
PubChem CID24690947
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone
SMILESCN1CCN(CC(=O)N2CCNCC2)CC1
InChIInChI=1S/C11H22N4O/c1-13-6-8-14(9-7-13)10-11(16)15-4-2-12-3-5-15/h12H,2-10H2,1H3
InChIKeyPXRIGLBUILCOHB-UHFFFAOYSA-N
XLogP-1.33
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone (CID 24690947) is 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone is CN1CCN(CC(=O)N2CCNCC2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone?
The InChIKey is PXRIGLBUILCOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-13-6-8-14(9-7-13)10-11(16)15-4-2-12-3-5-15/h12H,2-10H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone?
2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone has a molecular weight of 226.32 g/mol, XLogP of -1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 24690947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).