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

C60H120N20O5 — CID 161300721

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
InChIInChI=1S/5C12H24N4O/c5*1-13-3-7-15(8-4-13)11-12(17)16-9-5-14(2)6-10-16/h5*3-11H2,1-2H3
InChIKeyVHOPBCSVTNYKLS-UHFFFAOYSA-N
MW1201.75 g/mol
LogP-4.96
Rot. Bonds10

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

1,2-bis(4-methylpiperazin-1-yl)ethanone (PubChem CID 161300721) has the molecular formula C60H120N20O5 and a molecular weight of 1201.75 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 CID161300721
Molecular FormulaC60H120N20O5
Molecular Weight1201.75 g/mol
Exact Mass1200.98
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
InChIInChI=1S/5C12H24N4O/c5*1-13-3-7-15(8-4-13)11-12(17)16-9-5-14(2)6-10-16/h5*3-11H2,1-2H3
InChIKeyVHOPBCSVTNYKLS-UHFFFAOYSA-N
XLogP-4.96
TPSA150.15 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001201.75
LogP ≤ 5-4.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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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 161300721) 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.
What is the InChIKey of 1,2-bis(4-methylpiperazin-1-yl)ethanone?
The InChIKey is VHOPBCSVTNYKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/5C12H24N4O/c5*1-13-3-7-15(8-4-13)11-12(17)16-9-5-14(2)6-10-16/h5*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 1201.75 g/mol, XLogP of -4.96, 10 rotatable bonds, 0 hydrogen bond donors, and 20 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 161300721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).