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

C13H17NO3 — CID 43393427

IUPAC2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CCC(O)CC1
InChIInChI=1S/C13H17NO3/c15-11-3-1-10(2-4-11)9-13(17)14-7-5-12(16)6-8-14/h1-4,12,15-16H,5-9H2
InChIKeyCMZXYERZFBSJLN-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.92
Rot. Bonds2

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

2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 43393427) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID43393427
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CCC(O)CC1
InChIInChI=1S/C13H17NO3/c15-11-3-1-10(2-4-11)9-13(17)14-7-5-12(16)6-8-14/h1-4,12,15-16H,5-9H2
InChIKeyCMZXYERZFBSJLN-UHFFFAOYSA-N
XLogP0.92
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029330
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110465876
1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 28934157
2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393419
2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 69309353
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531
2-(4-hydroxyphenyl)-1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]ethanone
CID 70710982
1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea
CID 121061896
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 79868676
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 102983742
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804359
2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone
CID 71060557

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone (CID 43393427) is 2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone is O=C(Cc1ccc(O)cc1)N1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is CMZXYERZFBSJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-11-3-1-10(2-4-11)9-13(17)14-7-5-12(16)6-8-14/h1-4,12,15-16H,5-9H2.
What are the key properties of 2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 235.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 43393427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).