1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone

C31H30N2O2 — CID 2882918

IUPAC1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone
SMILESO=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H30N2O2/c34-30(31(35,27-17-9-3-10-18-27)28-19-11-4-12-20-28)33-23-21-32(22-24-33)29(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-20,29,35H,21-24H2
InChIKeyYUYSCPKGYYZOFC-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.86
Rot. Bonds6

About 1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone

1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone (PubChem CID 2882918) has the molecular formula C31H30N2O2 and a molecular weight of 462.59 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone
PubChem CID2882918
Molecular FormulaC31H30N2O2
Molecular Weight462.59 g/mol
Exact Mass462.23
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone
SMILESO=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H30N2O2/c34-30(31(35,27-17-9-3-10-18-27)28-19-11-4-12-20-28)33-23-21-32(22-24-33)29(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-20,29,35H,21-24H2
InChIKeyYUYSCPKGYYZOFC-UHFFFAOYSA-N
XLogP4.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone (CID 2882918) is 1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone is O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone?
The InChIKey is YUYSCPKGYYZOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O2/c34-30(31(35,27-17-9-3-10-18-27)28-19-11-4-12-20-28)33-23-21-32(22-24-33)29(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-20,29,35H,21-24H2.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone?
1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone has a molecular weight of 462.59 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone is sourced from PubChem (CID 2882918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).