1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone

C13H16FNO2 — CID 62025530

IUPAC1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CN1CCC(O)CC1)c1ccccc1F
InChIInChI=1S/C13H16FNO2/c14-12-4-2-1-3-11(12)13(17)9-15-7-5-10(16)6-8-15/h1-4,10,16H,5-9H2
InChIKeyXJVJOPIUMWHNRY-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.47
Rot. Bonds3

About 1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone

1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 62025530) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID62025530
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CN1CCC(O)CC1)c1ccccc1F
InChIInChI=1S/C13H16FNO2/c14-12-4-2-1-3-11(12)13(17)9-15-7-5-10(16)6-8-15/h1-4,10,16H,5-9H2
InChIKeyXJVJOPIUMWHNRY-UHFFFAOYSA-N
XLogP1.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63623184
2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62069531
1-(2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973305
1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62941183
1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66393870
1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984
2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62037679
1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55130596
1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62941529
1-(2,4-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62942450
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-fluorophenyl)ethanone
CID 79943016
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 103535755

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone (CID 62025530) is 1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone is O=C(CN1CCC(O)CC1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is XJVJOPIUMWHNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-12-4-2-1-3-11(12)13(17)9-15-7-5-10(16)6-8-15/h1-4,10,16H,5-9H2.
What are the key properties of 1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone?
1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 237.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 62025530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).