1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one

C16H21NO3 — CID 82186692

IUPAC1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one
SMILESCCc1ccc2c(c1)C(O)C(N1CCC(=O)CC1)CO2
InChIInChI=1S/C16H21NO3/c1-2-11-3-4-15-13(9-11)16(19)14(10-20-15)17-7-5-12(18)6-8-17/h3-4,9,14,16,19H,2,5-8,10H2,1H3
InChIKeyFILDBENZZDYLSE-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.71
Rot. Bonds2

About 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one

1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one (PubChem CID 82186692) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one
PubChem CID82186692
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one
SMILESCCc1ccc2c(c1)C(O)C(N1CCC(=O)CC1)CO2
InChIInChI=1S/C16H21NO3/c1-2-11-3-4-15-13(9-11)16(19)14(10-20-15)17-7-5-12(18)6-8-17/h3-4,9,14,16,19H,2,5-8,10H2,1H3
InChIKeyFILDBENZZDYLSE-UHFFFAOYSA-N
XLogP1.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one?
The IUPAC name of 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one (CID 82186692) is 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one.
What is the SMILES notation for 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one?
The canonical SMILES for 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one is CCc1ccc2c(c1)C(O)C(N1CCC(=O)CC1)CO2.
What is the InChIKey of 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one?
The InChIKey is FILDBENZZDYLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-11-3-4-15-13(9-11)16(19)14(10-20-15)17-7-5-12(18)6-8-17/h3-4,9,14,16,19H,2,5-8,10H2,1H3.
What are the key properties of 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one?
1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one has a molecular weight of 275.35 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one is sourced from PubChem (CID 82186692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).