ethane;1-(4-piperazin-1-ylphenyl)ethanone

C14H22N2O — CID 142085748

IUPACethane;1-(4-piperazin-1-ylphenyl)ethanone
SMILESCC.CC(=O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C12H16N2O.C2H6/c1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14;1-2/h2-5,13H,6-9H2,1H3;1-2H3
InChIKeyZSLMIFHHXGLXOO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.33
Rot. Bonds2

About ethane;1-(4-piperazin-1-ylphenyl)ethanone

ethane;1-(4-piperazin-1-ylphenyl)ethanone (PubChem CID 142085748) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is ethane;1-(4-piperazin-1-ylphenyl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-piperazin-1-ylphenyl)ethanone
PubChem CID142085748
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Nameethane;1-(4-piperazin-1-ylphenyl)ethanone
SMILESCC.CC(=O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C12H16N2O.C2H6/c1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14;1-2/h2-5,13H,6-9H2,1H3;1-2H3
InChIKeyZSLMIFHHXGLXOO-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate
CID 159731714
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone
CID 143404062
N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide
CID 174533104
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanone
CID 83971864
4-(1,4-diazepan-1-yl)benzamide;hydrochloride
CID 68552362
1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-bromoethanone
CID 63681378
hydroxy-methyl-(4-piperazin-1-ylphenyl)sulfanium
CID 143288996
1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone
CID 63158848
azetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone
CID 69365668

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-piperazin-1-ylphenyl)ethanone?
The IUPAC name of ethane;1-(4-piperazin-1-ylphenyl)ethanone (CID 142085748) is ethane;1-(4-piperazin-1-ylphenyl)ethanone.
What is the SMILES notation for ethane;1-(4-piperazin-1-ylphenyl)ethanone?
The canonical SMILES for ethane;1-(4-piperazin-1-ylphenyl)ethanone is CC.CC(=O)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of ethane;1-(4-piperazin-1-ylphenyl)ethanone?
The InChIKey is ZSLMIFHHXGLXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.C2H6/c1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14;1-2/h2-5,13H,6-9H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-piperazin-1-ylphenyl)ethanone?
ethane;1-(4-piperazin-1-ylphenyl)ethanone has a molecular weight of 234.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-piperazin-1-ylphenyl)ethanone is sourced from PubChem (CID 142085748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).