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

C25H25NO2 — CID 23383913

IUPAC2-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone
SMILESO=C(CN1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H25NO2/c27-24(22-9-5-2-6-10-22)19-26-17-15-25(28,16-18-26)23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-14,28H,15-19H2
InChIKeyIYQYRAKPJAZHFT-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.52
Rot. Bonds5

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

2-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone (PubChem CID 23383913) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone
PubChem CID23383913
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name2-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone
SMILESO=C(CN1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H25NO2/c27-24(22-9-5-2-6-10-22)19-26-17-15-25(28,16-18-26)23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-14,28H,15-19H2
InChIKeyIYQYRAKPJAZHFT-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone?
The IUPAC name of 2-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone (CID 23383913) is 2-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone is O=C(CN1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone?
The InChIKey is IYQYRAKPJAZHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c27-24(22-9-5-2-6-10-22)19-26-17-15-25(28,16-18-26)23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-14,28H,15-19H2.
What are the key properties of 2-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone?
2-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone has a molecular weight of 371.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone is sourced from PubChem (CID 23383913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).