2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one

C13H17ClN2O2 — CID 54592434

IUPAC2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESCC(Cl)C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C13H17ClN2O2/c1-10(14)13(18)16-8-6-15(7-9-16)11-4-2-3-5-12(11)17/h2-5,10,17H,6-9H2,1H3
InChIKeyNSASSQITGUVWTJ-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.67
Rot. Bonds2

About 2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one

2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 54592434) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID54592434
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESCC(Cl)C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C13H17ClN2O2/c1-10(14)13(18)16-8-6-15(7-9-16)11-4-2-3-5-12(11)17/h2-5,10,17H,6-9H2,1H3
InChIKeyNSASSQITGUVWTJ-UHFFFAOYSA-N
XLogP1.67
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 43243118
2-chloro-1-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one
CID 43346839
4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542807
2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one
CID 54868660
(2S)-2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75494290
2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 43001973
(2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 8528679
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878
(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 2575256
2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one
CID 62473038
4-(2-hydroxyphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 14302847
2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 60672816

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one (CID 54592434) is 2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one is CC(Cl)C(=O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is NSASSQITGUVWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-10(14)13(18)16-8-6-15(7-9-16)11-4-2-3-5-12(11)17/h2-5,10,17H,6-9H2,1H3.
What are the key properties of 2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 268.74 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 54592434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).