1-(2-hydroxyphenyl)-2-(4-piperazin-1-ylphenoxy)ethanone

C18H20N2O3 — CID 71617659

IUPAC1-(2-hydroxyphenyl)-2-(4-piperazin-1-ylphenoxy)ethanone
SMILESO=C(COc1ccc(N2CCNCC2)cc1)c1ccccc1O
InChIInChI=1S/C18H20N2O3/c21-17-4-2-1-3-16(17)18(22)13-23-15-7-5-14(6-8-15)20-11-9-19-10-12-20/h1-8,19,21H,9-13H2
InChIKeyHJJRJHYQEUIYGB-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.06
Rot. Bonds5

About 1-(2-hydroxyphenyl)-2-(4-piperazin-1-ylphenoxy)ethanone

1-(2-hydroxyphenyl)-2-(4-piperazin-1-ylphenoxy)ethanone (PubChem CID 71617659) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-2-(4-piperazin-1-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-2-(4-piperazin-1-ylphenoxy)ethanone
PubChem CID71617659
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-(2-hydroxyphenyl)-2-(4-piperazin-1-ylphenoxy)ethanone
SMILESO=C(COc1ccc(N2CCNCC2)cc1)c1ccccc1O
InChIInChI=1S/C18H20N2O3/c21-17-4-2-1-3-16(17)18(22)13-23-15-7-5-14(6-8-15)20-11-9-19-10-12-20/h1-8,19,21H,9-13H2
InChIKeyHJJRJHYQEUIYGB-UHFFFAOYSA-N
XLogP2.06
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-piperazin-1-ylphenoxy)ethanol
CID 21363864
1-(4-phenoxyphenyl)piperazine
CID 3017356
methyl 4-(4-piperazin-1-ylphenoxy)butanoate
CID 115410755
methyl 2-[4-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]phenoxy]acetate;dihydrochloride
CID 19602885
2-(4-chlorophenoxy)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;hydrochloride
CID 119494378
butanedioic acid;1-(4-methoxyphenyl)piperazine
CID 18545024
2-[4-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]phenoxy]acetic acid;hydrochloride
CID 19602881
(4-piperazin-1-ylphenyl) butanoate
CID 123824502
1-[4-(2-fluoropropoxy)phenyl]piperazine
CID 57025823
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
1-[4-(3-methylsulfonylpropoxy)phenyl]piperazine
CID 63190697
2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
CID 113079212

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-2-(4-piperazin-1-ylphenoxy)ethanone?
The IUPAC name of 1-(2-hydroxyphenyl)-2-(4-piperazin-1-ylphenoxy)ethanone (CID 71617659) is 1-(2-hydroxyphenyl)-2-(4-piperazin-1-ylphenoxy)ethanone.
What is the SMILES notation for 1-(2-hydroxyphenyl)-2-(4-piperazin-1-ylphenoxy)ethanone?
The canonical SMILES for 1-(2-hydroxyphenyl)-2-(4-piperazin-1-ylphenoxy)ethanone is O=C(COc1ccc(N2CCNCC2)cc1)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-2-(4-piperazin-1-ylphenoxy)ethanone?
The InChIKey is HJJRJHYQEUIYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17-4-2-1-3-16(17)18(22)13-23-15-7-5-14(6-8-15)20-11-9-19-10-12-20/h1-8,19,21H,9-13H2.
What are the key properties of 1-(2-hydroxyphenyl)-2-(4-piperazin-1-ylphenoxy)ethanone?
1-(2-hydroxyphenyl)-2-(4-piperazin-1-ylphenoxy)ethanone has a molecular weight of 312.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-2-(4-piperazin-1-ylphenoxy)ethanone is sourced from PubChem (CID 71617659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).