1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-phenylethanone

C18H20N2O2 — CID 171357442

IUPAC1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C18H20N2O2/c21-17-8-4-7-16(14-17)19-9-11-20(12-10-19)18(22)13-15-5-2-1-3-6-15/h1-8,14,21H,9-13H2
InChIKeyLHADKJIFAFDTER-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.28
Rot. Bonds3

About 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-phenylethanone

1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 171357442) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-phenylethanone
PubChem CID171357442
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C18H20N2O2/c21-17-8-4-7-16(14-17)19-9-11-20(12-10-19)18(22)13-15-5-2-1-3-6-15/h1-8,14,21H,9-13H2
InChIKeyLHADKJIFAFDTER-UHFFFAOYSA-N
XLogP2.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Benzyl-piperazin-1-yl)-phenol
CID 10015867
4-((1-benzylpiperidin-4-yl)(3-hydroxyphenyl)amino)-N,N-diethylbenzamide
CID 9911987
3-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 49850462
3-[(3-hydroxyphenyl)amino]-4-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539465
N,N-diethyl-4-((3-hydroxyphenyl)(1-methylpiperidin-4-yl)amino)benzamide
CID 45485826
N,N-diethyl-4-((1-(2-fluorophenethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486011
4-((1-(2-cyclopropylethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)-N,N-diethylbenzamide
CID 45486032
N,N-diethyl-4-((1-(3-fluorophenethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486035
N,N-diethyl-4-((3-hydroxyphenyl)(1-phenethylpiperidin-4-yl)amino)benzamide
CID 45486055
N,N-diethyl-4-((3-hydroxyphenyl)(1-(4-methylphenethyl)piperidin-4-yl)amino)benzamide
CID 45486101
3-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 49850463
3-[(2S,5R)-2,5-dimethyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 53355391

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-phenylethanone (CID 171357442) is 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is LHADKJIFAFDTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17-8-4-7-16(14-17)19-9-11-20(12-10-19)18(22)13-15-5-2-1-3-6-15/h1-8,14,21H,9-13H2.
What are the key properties of 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 296.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 171357442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).