1-(4-hydroxy-2,3,6-triphenylpiperidin-1-yl)ethanone

C25H25NO2 — CID 577643

IUPAC1-(4-hydroxy-2,3,6-triphenylpiperidin-1-yl)ethanone
SMILESCC(=O)N1C(c2ccccc2)CC(O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H25NO2/c1-18(27)26-22(19-11-5-2-6-12-19)17-23(28)24(20-13-7-3-8-14-20)25(26)21-15-9-4-10-16-21/h2-16,22-25,28H,17H2,1H3
InChIKeyIWGVTMCMUUTBJY-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.87
Rot. Bonds3

About 1-(4-hydroxy-2,3,6-triphenylpiperidin-1-yl)ethanone

1-(4-hydroxy-2,3,6-triphenylpiperidin-1-yl)ethanone (PubChem CID 577643) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-(4-hydroxy-2,3,6-triphenylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-2,3,6-triphenylpiperidin-1-yl)ethanone
PubChem CID577643
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name1-(4-hydroxy-2,3,6-triphenylpiperidin-1-yl)ethanone
SMILESCC(=O)N1C(c2ccccc2)CC(O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H25NO2/c1-18(27)26-22(19-11-5-2-6-12-19)17-23(28)24(20-13-7-3-8-14-20)25(26)21-15-9-4-10-16-21/h2-16,22-25,28H,17H2,1H3
InChIKeyIWGVTMCMUUTBJY-UHFFFAOYSA-N
XLogP4.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,3,6-triphenylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-2,3,6-triphenylpiperidin-1-yl)ethanone (CID 577643) is 1-(4-hydroxy-2,3,6-triphenylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-2,3,6-triphenylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-2,3,6-triphenylpiperidin-1-yl)ethanone is CC(=O)N1C(c2ccccc2)CC(O)C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 1-(4-hydroxy-2,3,6-triphenylpiperidin-1-yl)ethanone?
The InChIKey is IWGVTMCMUUTBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-18(27)26-22(19-11-5-2-6-12-19)17-23(28)24(20-13-7-3-8-14-20)25(26)21-15-9-4-10-16-21/h2-16,22-25,28H,17H2,1H3.
What are the key properties of 1-(4-hydroxy-2,3,6-triphenylpiperidin-1-yl)ethanone?
1-(4-hydroxy-2,3,6-triphenylpiperidin-1-yl)ethanone has a molecular weight of 371.48 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,3,6-triphenylpiperidin-1-yl)ethanone is sourced from PubChem (CID 577643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).