1-[1-(4-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one

C13H16FNO2 — CID 58122369

IUPAC1-[1-(4-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one
SMILESCC(c1ccc(F)cc1)N1CCCC(O)C1=O
InChIInChI=1S/C13H16FNO2/c1-9(10-4-6-11(14)7-5-10)15-8-2-3-12(16)13(15)17/h4-7,9,12,16H,2-3,8H2,1H3
InChIKeyIFGZRWAEKGVSCT-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.87
Rot. Bonds2

About 1-[1-(4-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one

1-[1-(4-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one (PubChem CID 58122369) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one
PubChem CID58122369
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one
SMILESCC(c1ccc(F)cc1)N1CCCC(O)C1=O
InChIInChI=1S/C13H16FNO2/c1-9(10-4-6-11(14)7-5-10)15-8-2-3-12(16)13(15)17/h4-7,9,12,16H,2-3,8H2,1H3
InChIKeyIFGZRWAEKGVSCT-UHFFFAOYSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one (CID 58122369) is 1-[1-(4-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one is CC(c1ccc(F)cc1)N1CCCC(O)C1=O.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one?
The InChIKey is IFGZRWAEKGVSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9(10-4-6-11(14)7-5-10)15-8-2-3-12(16)13(15)17/h4-7,9,12,16H,2-3,8H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one?
1-[1-(4-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one has a molecular weight of 237.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 58122369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).