ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone

C13H30N2O2 — CID 143432731

IUPACethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
SMILESCC.CC.COCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C9H18N2O2.2C2H6/c1-9(12)11-5-3-10(4-6-11)7-8-13-2;2*1-2/h3-8H2,1-2H3;2*1-2H3
InChIKeyRGOWMWXVAPURHS-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.85
Rot. Bonds3

About ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone

ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone (PubChem CID 143432731) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
PubChem CID143432731
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Nameethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
SMILESCC.CC.COCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C9H18N2O2.2C2H6/c1-9(12)11-5-3-10(4-6-11)7-8-13-2;2*1-2/h3-8H2,1-2H3;2*1-2H3
InChIKeyRGOWMWXVAPURHS-UHFFFAOYSA-N
XLogP1.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone (CID 143432731) is ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone is CC.CC.COCCN1CCN(C(C)=O)CC1.
What is the InChIKey of ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The InChIKey is RGOWMWXVAPURHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.2C2H6/c1-9(12)11-5-3-10(4-6-11)7-8-13-2;2*1-2/h3-8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone has a molecular weight of 246.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 143432731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).