2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone

C31H30N2O2 — CID 68584959

IUPAC2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone
SMILESO=C(c1ccccc1)C(O)c1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C31H30N2O2/c34-30(25-11-5-2-6-12-25)31(35)26-15-17-28(18-16-26)33-21-19-32(20-22-33)23-27-13-7-8-14-29(27)24-9-3-1-4-10-24/h1-18,31,35H,19-23H2
InChIKeyGUVBKEYJDMKBKR-UHFFFAOYSA-N
MW462.59 g/mol
LogP5.59
Rot. Bonds7

About 2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone

2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 68584959) has the molecular formula C31H30N2O2 and a molecular weight of 462.59 g/mol. Its IUPAC name is 2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone
PubChem CID68584959
Molecular FormulaC31H30N2O2
Molecular Weight462.59 g/mol
Exact Mass462.23
IUPAC Name2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone
SMILESO=C(c1ccccc1)C(O)c1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C31H30N2O2/c34-30(25-11-5-2-6-12-25)31(35)26-15-17-28(18-16-26)33-21-19-32(20-22-33)23-27-13-7-8-14-29(27)24-9-3-1-4-10-24/h1-18,31,35H,19-23H2
InChIKeyGUVBKEYJDMKBKR-UHFFFAOYSA-N
XLogP5.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-[4-[[2-(4-iodophenyl)phenyl]methyl]piperazin-1-yl]benzoic acid
CID 70305615
1-(4-chlorophenyl)-4-[(2-phenylphenyl)methyl]piperazine
CID 71602582
CID 58646271
CID 58646271
benzene;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-sulfonylbenzamide
CID 174652747
1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine
CID 130244404
N-benzylsulfonyl-4-[4-[[2-(4-hydroxyphenyl)phenyl]methyl]piperazin-1-yl]benzamide
CID 164571115
4-[4-[[2-(3-hydroxyphenyl)phenyl]methyl]piperazin-1-yl]-N-methylsulfonylbenzamide
CID 169271429
1-[4-[4-[[2-(3-ethoxyphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethanone
CID 171442940
N-(benzenesulfonyl)-4-[4-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzamide
CID 158400725
prop-2-enyl 4-[4-[[2-(3-hydroxyphenyl)phenyl]methyl]piperazin-1-yl]benzoate
CID 169272411
4-[4-[[2-[2-(aminomethyl)phenyl]phenyl]methyl]piperazin-1-yl]benzaldehyde
CID 175246482
4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide
CID 59186614

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone (CID 68584959) is 2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone is O=C(c1ccccc1)C(O)c1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1.
What is the InChIKey of 2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is GUVBKEYJDMKBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O2/c34-30(25-11-5-2-6-12-25)31(35)26-15-17-28(18-16-26)33-21-19-32(20-22-33)23-27-13-7-8-14-29(27)24-9-3-1-4-10-24/h1-18,31,35H,19-23H2.
What are the key properties of 2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone?
2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 462.59 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 68584959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).