2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone

C19H21NO2 — CID 141126673

IUPAC2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccccc1O)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C19H21NO2/c21-18-11-5-4-9-16(18)13-19(22)20-12-6-10-17(14-20)15-7-2-1-3-8-15/h1-5,7-9,11,17,21H,6,10,12-14H2
InChIKeyOIABGTBGNRQXJF-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.34
Rot. Bonds3

About 2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone

2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone (PubChem CID 141126673) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
PubChem CID141126673
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccccc1O)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C19H21NO2/c21-18-11-5-4-9-16(18)13-19(22)20-12-6-10-17(14-20)15-7-2-1-3-8-15/h1-5,7-9,11,17,21H,6,10,12-14H2
InChIKeyOIABGTBGNRQXJF-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 80740895
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685
1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 78946629
1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 80740906
2-(1-methylindol-3-yl)-1-[(3S)-3-phenylazepan-1-yl]ethanone
CID 129409350
2-methoxy-1-(3-phenylazepan-1-yl)ethanone
CID 90608413
1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78992664
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
2-(2-hydroxyphenyl)-1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97444886
2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone
CID 124761216
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990769
1-[(3S)-3-phenylpiperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 95207742

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone (CID 141126673) is 2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone is O=C(Cc1ccccc1O)N1CCCC(c2ccccc2)C1.
What is the InChIKey of 2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone?
The InChIKey is OIABGTBGNRQXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-18-11-5-4-9-16(18)13-19(22)20-12-6-10-17(14-20)15-7-2-1-3-8-15/h1-5,7-9,11,17,21H,6,10,12-14H2.
What are the key properties of 2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone?
2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone has a molecular weight of 295.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone is sourced from PubChem (CID 141126673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).