1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone

C12H17NO3 — CID 94201565

IUPAC1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@H](CO)C1)c1ccco1
InChIInChI=1S/C12H17NO3/c14-9-10-3-1-5-13(7-10)8-11(15)12-4-2-6-16-12/h2,4,6,10,14H,1,3,5,7-9H2/t10-/m0/s1
InChIKeyCWBZXWWPOQSOGZ-JTQLQIEISA-N
MW223.27 g/mol
LogP1.17
Rot. Bonds4

About 1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone

1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 94201565) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID94201565
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@H](CO)C1)c1ccco1
InChIInChI=1S/C12H17NO3/c14-9-10-3-1-5-13(7-10)8-11(15)12-4-2-6-16-12/h2,4,6,10,14H,1,3,5,7-9H2/t10-/m0/s1
InChIKeyCWBZXWWPOQSOGZ-JTQLQIEISA-N
XLogP1.17
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960760
tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate
CID 71632340
2-(4-aminopiperidin-1-yl)-1-(furan-2-yl)ethanone
CID 62031487
1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102960348
2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylethanone
CID 86325588
2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride
CID 71644820
1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 55050319
2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 54989522
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025148
1-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025348
tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate
CID 97167011
1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63971558

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone (CID 94201565) is 1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(CN1CCC[C@H](CO)C1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is CWBZXWWPOQSOGZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO3/c14-9-10-3-1-5-13(7-10)8-11(15)12-4-2-6-16-12/h2,4,6,10,14H,1,3,5,7-9H2/t10-/m0/s1.
What are the key properties of 1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone?
1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 223.27 g/mol, XLogP of 1.17, 4 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-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 94201565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).