1-[1-(2-fluoro-1-hydroxyethyl)piperidin-4-yl]ethanone

C9H16FNO2 — CID 143814064

IUPAC1-[1-(2-fluoro-1-hydroxyethyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C(O)CF)CC1
InChIInChI=1S/C9H16FNO2/c1-7(12)8-2-4-11(5-3-8)9(13)6-10/h8-9,13H,2-6H2,1H3
InChIKeyPLGDLMLUNLCQBW-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.58
Rot. Bonds3

About 1-[1-(2-fluoro-1-hydroxyethyl)piperidin-4-yl]ethanone

1-[1-(2-fluoro-1-hydroxyethyl)piperidin-4-yl]ethanone (PubChem CID 143814064) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-[1-(2-fluoro-1-hydroxyethyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-fluoro-1-hydroxyethyl)piperidin-4-yl]ethanone
PubChem CID143814064
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name1-[1-(2-fluoro-1-hydroxyethyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C(O)CF)CC1
InChIInChI=1S/C9H16FNO2/c1-7(12)8-2-4-11(5-3-8)9(13)6-10/h8-9,13H,2-6H2,1H3
InChIKeyPLGDLMLUNLCQBW-UHFFFAOYSA-N
XLogP0.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-1-hydroxyethyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(2-fluoro-1-hydroxyethyl)piperidin-4-yl]ethanone (CID 143814064) is 1-[1-(2-fluoro-1-hydroxyethyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(2-fluoro-1-hydroxyethyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(2-fluoro-1-hydroxyethyl)piperidin-4-yl]ethanone is CC(=O)C1CCN(C(O)CF)CC1.
What is the InChIKey of 1-[1-(2-fluoro-1-hydroxyethyl)piperidin-4-yl]ethanone?
The InChIKey is PLGDLMLUNLCQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-7(12)8-2-4-11(5-3-8)9(13)6-10/h8-9,13H,2-6H2,1H3.
What are the key properties of 1-[1-(2-fluoro-1-hydroxyethyl)piperidin-4-yl]ethanone?
1-[1-(2-fluoro-1-hydroxyethyl)piperidin-4-yl]ethanone has a molecular weight of 189.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoro-1-hydroxyethyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 143814064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).