2-[4-hydroxy-2-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone

C25H25NO2 — CID 18423553

IUPAC2-[4-hydroxy-2-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone
SMILESO=C(CN1CCC(O)CC1c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H25NO2/c27-23-15-16-26(18-25(28)22-9-5-2-6-10-22)24(17-23)21-13-11-20(12-14-21)19-7-3-1-4-8-19/h1-14,23-24,27H,15-18H2
InChIKeyXHMCZCWISQVOQC-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.73
Rot. Bonds5

About 2-[4-hydroxy-2-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone

2-[4-hydroxy-2-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone (PubChem CID 18423553) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[4-hydroxy-2-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-hydroxy-2-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone
PubChem CID18423553
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name2-[4-hydroxy-2-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone
SMILESO=C(CN1CCC(O)CC1c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H25NO2/c27-23-15-16-26(18-25(28)22-9-5-2-6-10-22)24(17-23)21-13-11-20(12-14-21)19-7-3-1-4-8-19/h1-14,23-24,27H,15-18H2
InChIKeyXHMCZCWISQVOQC-UHFFFAOYSA-N
XLogP4.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-2-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone?
The IUPAC name of 2-[4-hydroxy-2-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone (CID 18423553) is 2-[4-hydroxy-2-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[4-hydroxy-2-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[4-hydroxy-2-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone is O=C(CN1CCC(O)CC1c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-hydroxy-2-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone?
The InChIKey is XHMCZCWISQVOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c27-23-15-16-26(18-25(28)22-9-5-2-6-10-22)24(17-23)21-13-11-20(12-14-21)19-7-3-1-4-8-19/h1-14,23-24,27H,15-18H2.
What are the key properties of 2-[4-hydroxy-2-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone?
2-[4-hydroxy-2-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone has a molecular weight of 371.48 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-2-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone is sourced from PubChem (CID 18423553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).