1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone

C15H20N2O3 — CID 82186504

IUPAC1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2COc3ccccc3C2O)CC1
InChIInChI=1S/C15H20N2O3/c1-11(18)16-6-8-17(9-7-16)13-10-20-14-5-3-2-4-12(14)15(13)19/h2-5,13,15,19H,6-10H2,1H3
InChIKeySGTZPTSXPUKKPC-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.65
Rot. Bonds1

About 1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone

1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone (PubChem CID 82186504) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
PubChem CID82186504
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2COc3ccccc3C2O)CC1
InChIInChI=1S/C15H20N2O3/c1-11(18)16-6-8-17(9-7-16)13-10-20-14-5-3-2-4-12(14)15(13)19/h2-5,13,15,19H,6-10H2,1H3
InChIKeySGTZPTSXPUKKPC-UHFFFAOYSA-N
XLogP0.65
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one
CID 82186520
methyl 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-4-carboxylate
CID 82186516
1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
CID 82187050
3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 63622299
(3R,4S)-3-[4-[(1S)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 100733600
3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 63165497
(3R,4S)-3-(5-bromo-8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 100733785
8-ethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 82186562
N-methyl-2-phenyl-N-[(3S,4R)-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl]acetamide;hydrochloride
CID 67919858
1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one
CID 82186692
3-(4-methylsulfonylpiperazin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 62993781
4-[(4S,5R)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]piperazine-1-carboxylic acid
CID 68920287

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone (CID 82186504) is 1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C2COc3ccccc3C2O)CC1.
What is the InChIKey of 1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone?
The InChIKey is SGTZPTSXPUKKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)16-6-8-17(9-7-16)13-10-20-14-5-3-2-4-12(14)15(13)19/h2-5,13,15,19H,6-10H2,1H3.
What are the key properties of 1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone?
1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone has a molecular weight of 276.34 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 82186504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).