1-[4-(2-methylpropyl)piperazin-1-yl]ethanone

C10H20N2O — CID 20596512

IUPAC1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C10H20N2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h9H,4-8H2,1-3H3
InChIKeyQARIREYAWBQJMF-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.81
Rot. Bonds2

About 1-[4-(2-methylpropyl)piperazin-1-yl]ethanone

1-[4-(2-methylpropyl)piperazin-1-yl]ethanone (PubChem CID 20596512) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
PubChem CID20596512
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C10H20N2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h9H,4-8H2,1-3H3
InChIKeyQARIREYAWBQJMF-UHFFFAOYSA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-methylpropyl)piperazin-1-yl]ethanone (CID 20596512) is 1-[4-(2-methylpropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-methylpropyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CC(C)C)CC1.
What is the InChIKey of 1-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The InChIKey is QARIREYAWBQJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h9H,4-8H2,1-3H3.
What are the key properties of 1-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
1-[4-(2-methylpropyl)piperazin-1-yl]ethanone has a molecular weight of 184.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 20596512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).