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

C20H23NO3 — CID 110882787

IUPAC2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
SMILESCOC1CCN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H23NO3/c1-24-18-12-14-21(15-13-18)19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3
InChIKeyQXMZQAOSFICJIY-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.56
Rot. Bonds4

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

2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone (PubChem CID 110882787) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone.

Molecular Properties

Compound Name2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
PubChem CID110882787
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
SMILESCOC1CCN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H23NO3/c1-24-18-12-14-21(15-13-18)19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3
InChIKeyQXMZQAOSFICJIY-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone?
The IUPAC name of 2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone (CID 110882787) is 2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone.
What is the SMILES notation for 2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone?
The canonical SMILES for 2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone is COC1CCN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone?
The InChIKey is QXMZQAOSFICJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-24-18-12-14-21(15-13-18)19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3.
What are the key properties of 2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone?
2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone has a molecular weight of 325.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone is sourced from PubChem (CID 110882787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).