1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone

C12H17NO3 — CID 102960348

IUPAC1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)c2ccco2)CC1O
InChIInChI=1S/C12H17NO3/c1-9-4-5-13(7-10(9)14)8-11(15)12-3-2-6-16-12/h2-3,6,9-10,14H,4-5,7-8H2,1H3
InChIKeyREOWHSDXBFCLGL-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.16
Rot. Bonds3

About 1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone

1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone (PubChem CID 102960348) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
PubChem CID102960348
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)c2ccco2)CC1O
InChIInChI=1S/C12H17NO3/c1-9-4-5-13(7-10(9)14)8-11(15)12-3-2-6-16-12/h2-3,6,9-10,14H,4-5,7-8H2,1H3
InChIKeyREOWHSDXBFCLGL-UHFFFAOYSA-N
XLogP1.16
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(furan-2-yl)ethanone
CID 62031487
1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 55050319
1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960760
tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate
CID 97167011
1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 94201565
1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63971558
2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride
CID 71644820
2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 54989522
2-(3-hydroxy-4-methylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
CID 102960303
2-[2-(furan-2-yl)-2-oxoethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863884
2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone
CID 62206434
1-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025348

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone (CID 102960348) is 1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone is CC1CCN(CC(=O)c2ccco2)CC1O.
What is the InChIKey of 1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The InChIKey is REOWHSDXBFCLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-4-5-13(7-10(9)14)8-11(15)12-3-2-6-16-12/h2-3,6,9-10,14H,4-5,7-8H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone has a molecular weight of 223.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 102960348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).