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

C19H22N2O3 — CID 71922355

IUPAC2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(C(O)c1ccccc1)N1CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C19H22N2O3/c22-17-8-4-5-15(13-17)14-20-9-11-21(12-10-20)19(24)18(23)16-6-2-1-3-7-16/h1-8,13,18,22-23H,9-12,14H2
InChIKeyGBOVDMBXQNESTA-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.77
Rot. Bonds4

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

2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 71922355) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
PubChem CID71922355
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(C(O)c1ccccc1)N1CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C19H22N2O3/c22-17-8-4-5-15(13-17)14-20-9-11-21(12-10-20)19(24)18(23)16-6-2-1-3-7-16/h1-8,13,18,22-23H,9-12,14H2
InChIKeyGBOVDMBXQNESTA-UHFFFAOYSA-N
XLogP1.77
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride
CID 119873857
(2S)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 97277932
1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one
CID 71304914
(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-2-phenylethanone;dihydrochloride
CID 171689425
1-(4-benzylpiperazin-1-yl)-2-ethylbutan-1-one
CID 1092017
1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
CID 110411985
[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 126792256
1-[4-[(3-aminophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 58293892
1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 111538793
4-(2-hydroxy-2-phenylacetyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70714022
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone (CID 71922355) is 2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone is O=C(C(O)c1ccccc1)N1CCN(Cc2cccc(O)c2)CC1.
What is the InChIKey of 2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is GBOVDMBXQNESTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-17-8-4-5-15(13-17)14-20-9-11-21(12-10-20)19(24)18(23)16-6-2-1-3-7-16/h1-8,13,18,22-23H,9-12,14H2.
What are the key properties of 2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone?
2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 326.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 71922355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).