1,2-bis(4-methylpiperazin-1-yl)ethanone

C72H144N24O6 — CID 159169093

IUPAC1,2-bis(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/6C12H24N4O/c6*1-13-3-7-15(8-4-13)11-12(17)16-9-5-14(2)6-10-16/h6*3-11H2,1-2H3
InChIKeyKLLMKUPYRMYPOP-UHFFFAOYSA-N
MW1442.11 g/mol
LogP-5.95
Rot. Bonds12

About 1,2-bis(4-methylpiperazin-1-yl)ethanone

1,2-bis(4-methylpiperazin-1-yl)ethanone (PubChem CID 159169093) has the molecular formula C72H144N24O6 and a molecular weight of 1442.11 g/mol. Its IUPAC name is 1,2-bis(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1,2-bis(4-methylpiperazin-1-yl)ethanone
PubChem CID159169093
Molecular FormulaC72H144N24O6
Molecular Weight1442.11 g/mol
Exact Mass1441.17
IUPAC Name1,2-bis(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/6C12H24N4O/c6*1-13-3-7-15(8-4-13)11-12(17)16-9-5-14(2)6-10-16/h6*3-11H2,1-2H3
InChIKeyKLLMKUPYRMYPOP-UHFFFAOYSA-N
XLogP-5.95
TPSA180.18 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001442.11
LogP ≤ 5-5.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1,2-bis(4-methylpiperazin-1-yl)ethanone (CID 159169093) is 1,2-bis(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1,2-bis(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1,2-bis(4-methylpiperazin-1-yl)ethanone is CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 1,2-bis(4-methylpiperazin-1-yl)ethanone?
The InChIKey is KLLMKUPYRMYPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/6C12H24N4O/c6*1-13-3-7-15(8-4-13)11-12(17)16-9-5-14(2)6-10-16/h6*3-11H2,1-2H3.
What are the key properties of 1,2-bis(4-methylpiperazin-1-yl)ethanone?
1,2-bis(4-methylpiperazin-1-yl)ethanone has a molecular weight of 1442.11 g/mol, XLogP of -5.95, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 159169093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).