5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one

C13H16FNO2 — CID 121493754

IUPAC5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one
SMILESO=C1NCC(CCc2cccc(F)c2)CC1O
InChIInChI=1S/C13H16FNO2/c14-11-3-1-2-9(6-11)4-5-10-7-12(16)13(17)15-8-10/h1-3,6,10,12,16H,4-5,7-8H2,(H,15,17)
InChIKeyRCBWGQIKARYREJ-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.26
Rot. Bonds3

About 5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one

5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one (PubChem CID 121493754) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one
PubChem CID121493754
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one
SMILESO=C1NCC(CCc2cccc(F)c2)CC1O
InChIInChI=1S/C13H16FNO2/c14-11-3-1-2-9(6-11)4-5-10-7-12(16)13(17)15-8-10/h1-3,6,10,12,16H,4-5,7-8H2,(H,15,17)
InChIKeyRCBWGQIKARYREJ-UHFFFAOYSA-N
XLogP1.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one?
The IUPAC name of 5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one (CID 121493754) is 5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for 5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for 5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one is O=C1NCC(CCc2cccc(F)c2)CC1O.
What is the InChIKey of 5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one?
The InChIKey is RCBWGQIKARYREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-3-1-2-9(6-11)4-5-10-7-12(16)13(17)15-8-10/h1-3,6,10,12,16H,4-5,7-8H2,(H,15,17).
What are the key properties of 5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one?
5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one has a molecular weight of 237.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 121493754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).