1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one

C14H17NO3 — CID 82186520

IUPAC1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one
SMILESO=C1CCN(C2COc3ccccc3C2O)CC1
InChIInChI=1S/C14H17NO3/c16-10-5-7-15(8-6-10)12-9-18-13-4-2-1-3-11(13)14(12)17/h1-4,12,14,17H,5-9H2
InChIKeyIZQZLTKQFIZCLH-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.15
Rot. Bonds1

About 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one

1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one (PubChem CID 82186520) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one
PubChem CID82186520
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one
SMILESO=C1CCN(C2COc3ccccc3C2O)CC1
InChIInChI=1S/C14H17NO3/c16-10-5-7-15(8-6-10)12-9-18-13-4-2-1-3-11(13)14(12)17/h1-4,12,14,17H,5-9H2
InChIKeyIZQZLTKQFIZCLH-UHFFFAOYSA-N
XLogP1.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one
CID 82186692
1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
CID 82186504
3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 63622299
methyl 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-4-carboxylate
CID 82186516
(3R,4S)-3-(5-bromo-8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 100733785
3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 63165497
(3R,4S)-3-[4-[(1S)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 100733600
1-(3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-one
CID 62365917
2,3-dihydro-1-benzofuran-3-ol
CID 585896
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
CID 13253821
1-(6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperidin-4-ol
CID 19919718
N-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride
CID 67919858

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one?
The IUPAC name of 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one (CID 82186520) is 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one.
What is the SMILES notation for 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one?
The canonical SMILES for 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one is O=C1CCN(C2COc3ccccc3C2O)CC1.
What is the InChIKey of 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one?
The InChIKey is IZQZLTKQFIZCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-10-5-7-15(8-6-10)12-9-18-13-4-2-1-3-11(13)14(12)17/h1-4,12,14,17H,5-9H2.
What are the key properties of 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one?
1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one has a molecular weight of 247.29 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one is sourced from PubChem (CID 82186520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).