1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone

C16H32N4O — CID 58796704

IUPAC1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)N2CCN(CC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-16(2,3)14-19-9-11-20(12-10-19)15(21)13-18-7-5-17(4)6-8-18/h5-14H2,1-4H3
InChIKeyBFALWAAYFKWJAP-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.42
Rot. Bonds3

About 1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone

1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 58796704) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID58796704
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)N2CCN(CC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-16(2,3)14-19-9-11-20(12-10-19)15(21)13-18-7-5-17(4)6-8-18/h5-14H2,1-4H3
InChIKeyBFALWAAYFKWJAP-UHFFFAOYSA-N
XLogP0.42
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone (CID 58796704) is 1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone is CN1CCN(CC(=O)N2CCN(CC(C)(C)C)CC2)CC1.
What is the InChIKey of 1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is BFALWAAYFKWJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-16(2,3)14-19-9-11-20(12-10-19)15(21)13-18-7-5-17(4)6-8-18/h5-14H2,1-4H3.
What are the key properties of 1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 296.46 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 58796704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).