[4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite

C12H15ClN2OS — CID 143497472

IUPAC[4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite
SMILESCC(=O)N1CCN(c2ccc(SCl)cc2)CC1
InChIInChI=1S/C12H15ClN2OS/c1-10(16)14-6-8-15(9-7-14)11-2-4-12(17-13)5-3-11/h2-5H,6-9H2,1H3
InChIKeyWWVFSRLIHBNVNZ-UHFFFAOYSA-N
MW270.79 g/mol
LogP2.60
Rot. Bonds2

About [4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite

[4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite (PubChem CID 143497472) has the molecular formula C12H15ClN2OS and a molecular weight of 270.79 g/mol. Its IUPAC name is [4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite.

Molecular Properties

Compound Name[4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite
PubChem CID143497472
Molecular FormulaC12H15ClN2OS
Molecular Weight270.79 g/mol
Exact Mass270.06
IUPAC Name[4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite
SMILESCC(=O)N1CCN(c2ccc(SCl)cc2)CC1
InChIInChI=1S/C12H15ClN2OS/c1-10(16)14-6-8-15(9-7-14)11-2-4-12(17-13)5-3-11/h2-5H,6-9H2,1H3
InChIKeyWWVFSRLIHBNVNZ-UHFFFAOYSA-N
XLogP2.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone
CID 20590526
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
4-(4-methylsulfanylphenyl)piperazine-1-carboxylic acid
CID 69368376
2-[4-(4-acetylpiperazin-1-yl)phenyl]acetic acid
CID 135263317
1-[4-[4-(1-sulfanylethyl)phenyl]piperazin-1-yl]ethanone
CID 163789596
1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 142506397
1-[4-[4-[2-(4-methylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone
CID 59546040
1-[4-[4-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone
CID 43280986
1-[4-(3,4-diaminophenyl)piperazin-1-yl]ethanone
CID 14911026
1-[4-(4-ethylphenyl)-1,4-diazepan-1-yl]ethanone
CID 70827633
2-[4-(4-acetylpiperazin-1-yl)phenyl]isoindole-1,3-dione
CID 168518953

Frequently Asked Questions

What is the IUPAC name of [4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite?
The IUPAC name of [4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite (CID 143497472) is [4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite.
What is the SMILES notation for [4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite?
The canonical SMILES for [4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite is CC(=O)N1CCN(c2ccc(SCl)cc2)CC1.
What is the InChIKey of [4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite?
The InChIKey is WWVFSRLIHBNVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-10(16)14-6-8-15(9-7-14)11-2-4-12(17-13)5-3-11/h2-5H,6-9H2,1H3.
What are the key properties of [4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite?
[4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite has a molecular weight of 270.79 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite is sourced from PubChem (CID 143497472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).