1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone

C16H23NO3 — CID 39376391

IUPAC1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)N1CCC(O)CC1
InChIInChI=1S/C16H23NO3/c1-12(2)14-5-3-4-6-15(14)20-11-16(19)17-9-7-13(18)8-10-17/h3-6,12-13,18H,7-11H2,1-2H3
InChIKeyKWNIMOYXLZUBNM-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.17
Rot. Bonds4

About 1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone

1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone (PubChem CID 39376391) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
PubChem CID39376391
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)N1CCC(O)CC1
InChIInChI=1S/C16H23NO3/c1-12(2)14-5-3-4-6-15(14)20-11-16(19)17-9-7-13(18)8-10-17/h3-6,12-13,18H,7-11H2,1-2H3
InChIKeyKWNIMOYXLZUBNM-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 112977426
1-[2-(2-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63005639
1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 18112391
1-(4-benzhydrylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 4945471
2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43504036
2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39404473
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 103726740
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-propan-2-ylphenoxy)ethanone
CID 81196263
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 103822577
1-[4-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-(2-propan-2-ylphenoxy)ethanone
CID 46955954
2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 154743326
2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide
CID 95788402

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone (CID 39376391) is 1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone is CC(C)c1ccccc1OCC(=O)N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone?
The InChIKey is KWNIMOYXLZUBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)14-5-3-4-6-15(14)20-11-16(19)17-9-7-13(18)8-10-17/h3-6,12-13,18H,7-11H2,1-2H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone?
1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone has a molecular weight of 277.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 39376391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).