3-(4-benzylpiperazin-1-yl)-1-hydroxy-1,1-diphenylpropan-2-one

C26H28N2O2 — CID 10340952

IUPAC3-(4-benzylpiperazin-1-yl)-1-hydroxy-1,1-diphenylpropan-2-one
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c29-25(21-28-18-16-27(17-19-28)20-22-10-4-1-5-11-22)26(30,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,30H,16-21H2
InChIKeyJUJMBIUXWHJEQS-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.31
Rot. Bonds7

About 3-(4-benzylpiperazin-1-yl)-1-hydroxy-1,1-diphenylpropan-2-one

3-(4-benzylpiperazin-1-yl)-1-hydroxy-1,1-diphenylpropan-2-one (PubChem CID 10340952) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-1-hydroxy-1,1-diphenylpropan-2-one.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-1-hydroxy-1,1-diphenylpropan-2-one
PubChem CID10340952
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name3-(4-benzylpiperazin-1-yl)-1-hydroxy-1,1-diphenylpropan-2-one
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c29-25(21-28-18-16-27(17-19-28)20-22-10-4-1-5-11-22)26(30,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,30H,16-21H2
InChIKeyJUJMBIUXWHJEQS-UHFFFAOYSA-N
XLogP3.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Benzyl-4-piperidyl) 2-hydroxy-2,2-diphenyl-acetate
CID 298395
(1-Benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone
CID 2827008
Loperamide hydrochloride specified impurity D
CID 3705191
[1-[(4-Fluorophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate
CID 15636671
Npc 14695
CID 192358
1-Cyclohexyl-1-hydroxy-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-one
CID 9840500
1-Cyclobutyl-1-hydroxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-1-phenylpropan-2-one
CID 9974679
1-Cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-enylpiperazin-1-yl)propan-2-one
CID 9998398
1-Cyclobutyl-3-(4-cyclobutylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-one
CID 10043038
1-Cyclobutyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one
CID 10064964
1-Cyclobutyl-1-hydroxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-one
CID 10067361
1-Cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one
CID 10246087

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-hydroxy-1,1-diphenylpropan-2-one?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-hydroxy-1,1-diphenylpropan-2-one (CID 10340952) is 3-(4-benzylpiperazin-1-yl)-1-hydroxy-1,1-diphenylpropan-2-one.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-1-hydroxy-1,1-diphenylpropan-2-one?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-1-hydroxy-1,1-diphenylpropan-2-one is O=C(CN1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-1-hydroxy-1,1-diphenylpropan-2-one?
The InChIKey is JUJMBIUXWHJEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c29-25(21-28-18-16-27(17-19-28)20-22-10-4-1-5-11-22)26(30,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,30H,16-21H2.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-1-hydroxy-1,1-diphenylpropan-2-one?
3-(4-benzylpiperazin-1-yl)-1-hydroxy-1,1-diphenylpropan-2-one has a molecular weight of 400.52 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-1-hydroxy-1,1-diphenylpropan-2-one is sourced from PubChem (CID 10340952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).