1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone

C12H15ClN2O2 — CID 142506397

IUPAC1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C12H15ClN2O2/c1-9(16)14-4-6-15(7-5-14)10-2-3-12(17)11(13)8-10/h2-3,8,17H,4-7H2,1H3
InChIKeyWCHAJFISVPAMBS-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.71
Rot. Bonds1

About 1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone

1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone (PubChem CID 142506397) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone
PubChem CID142506397
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C12H15ClN2O2/c1-9(16)14-4-6-15(7-5-14)10-2-3-12(17)11(13)8-10/h2-3,8,17H,4-7H2,1H3
InChIKeyWCHAJFISVPAMBS-UHFFFAOYSA-N
XLogP1.71
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 137429725
1-[4-[3-chloro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanone
CID 54014888
2-chloro-4-(4-phenylpiperazin-1-yl)phenol
CID 174508303
2-chloro-4-(4-ethylpiperazin-1-yl)phenol
CID 71406560
4-(4-acetyl-1,4-diazepan-1-yl)-2-chlorobenzonitrile
CID 62947155
1-[4-(3,4-diaminophenyl)piperazin-1-yl]ethanone
CID 14911026
1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 143061636
[4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite
CID 143497472
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone
CID 20590526
1-[4-[4-(1-sulfanylethyl)phenyl]piperazin-1-yl]ethanone
CID 163789596
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 16644825

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone (CID 142506397) is 1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(O)c(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is WCHAJFISVPAMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-9(16)14-4-6-15(7-5-14)10-2-3-12(17)11(13)8-10/h2-3,8,17H,4-7H2,1H3.
What are the key properties of 1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone?
1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 254.72 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 142506397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).