2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone

C20H23NO3 — CID 78828531

IUPAC2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C20H23NO3/c22-18-8-6-16(7-9-18)14-20(23)21-12-10-19(11-13-21)24-15-17-4-2-1-3-5-17/h1-9,19,22H,10-15H2
InChIKeyUGDUZNLAMNJUCI-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.14
Rot. Bonds5

About 2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone

2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone (PubChem CID 78828531) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
PubChem CID78828531
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C20H23NO3/c22-18-8-6-16(7-9-18)14-20(23)21-12-10-19(11-13-21)24-15-17-4-2-1-3-5-17/h1-9,19,22H,10-15H2
InChIKeyUGDUZNLAMNJUCI-UHFFFAOYSA-N
XLogP3.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70744213
1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 28934157
2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione
CID 71899333
2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393427
2-(4-hydroxyphenyl)-1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]ethanone
CID 70710982
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one
CID 55773001
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110465876
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848
2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 55461347

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone (CID 78828531) is 2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone is O=C(Cc1ccc(O)cc1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone?
The InChIKey is UGDUZNLAMNJUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-18-8-6-16(7-9-18)14-20(23)21-12-10-19(11-13-21)24-15-17-4-2-1-3-5-17/h1-9,19,22H,10-15H2.
What are the key properties of 2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone?
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone has a molecular weight of 325.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 78828531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).