2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone

C16H21NO3 — CID 111425138

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CC1CCOc2ccccc21)N1CCC(O)CC1
InChIInChI=1S/C16H21NO3/c18-13-5-8-17(9-6-13)16(19)11-12-7-10-20-15-4-2-1-3-14(12)15/h1-4,12-13,18H,5-11H2
InChIKeyWYIZXVXAJPZCET-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.93
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone

2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 111425138) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID111425138
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CC1CCOc2ccccc21)N1CCC(O)CC1
InChIInChI=1S/C16H21NO3/c18-13-5-8-17(9-6-13)16(19)11-12-7-10-20-15-4-2-1-3-14(12)15/h1-4,12-13,18H,5-11H2
InChIKeyWYIZXVXAJPZCET-UHFFFAOYSA-N
XLogP1.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110680477
(2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid
CID 125153787
2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 126780755
(3R)-1-[2-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695266
(3S)-1-[2-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695179
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-3-yl)ethanone
CID 110753812
2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 136530827
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone
CID 100837733
2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide
CID 154874763
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone
CID 97317309
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone
CID 97317308

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone (CID 111425138) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone is O=C(CC1CCOc2ccccc21)N1CCC(O)CC1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is WYIZXVXAJPZCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-13-5-8-17(9-6-13)16(19)11-12-7-10-20-15-4-2-1-3-14(12)15/h1-4,12-13,18H,5-11H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 275.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 111425138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).