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

C13H17NO3 — CID 60680512

IUPAC1-(4-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CN1CCC(O)CC1)c1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c15-11-3-1-10(2-4-11)13(17)9-14-7-5-12(16)6-8-14/h1-4,12,15-16H,5-9H2
InChIKeyBUNGTEHKJFGOBY-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.03
Rot. Bonds3

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

1-(4-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 60680512) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID60680512
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-(4-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CN1CCC(O)CC1)c1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c15-11-3-1-10(2-4-11)13(17)9-14-7-5-12(16)6-8-14/h1-4,12,15-16H,5-9H2
InChIKeyBUNGTEHKJFGOBY-UHFFFAOYSA-N
XLogP1.03
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-hydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 43228109
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxyphenyl)ethanone
CID 60680749
2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
CID 62941898
2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone
CID 63608714
2-(3-hydroxy-4-methylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
CID 102960303
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 14677538
1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 62025530
2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
CID 61421640
2-(4-tert-butylpiperidin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone
CID 62091109
1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421828
4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one
CID 60680436
1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103499002

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanone (CID 60680512) is 1-(4-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanone is O=C(CN1CCC(O)CC1)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is BUNGTEHKJFGOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-11-3-1-10(2-4-11)13(17)9-14-7-5-12(16)6-8-14/h1-4,12,15-16H,5-9H2.
What are the key properties of 1-(4-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanone?
1-(4-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 235.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 60680512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).