1-(3-fluoro-4-hydroxypiperidin-1-yl)ethanone

C7H12FNO2 — CID 146158260

IUPAC1-(3-fluoro-4-hydroxypiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(O)C(F)C1
InChIInChI=1S/C7H12FNO2/c1-5(10)9-3-2-7(11)6(8)4-9/h6-7,11H,2-4H2,1H3
InChIKeyPMZDRBGIHKWXPU-UHFFFAOYSA-N
MW161.18 g/mol
LogP-0.06
Rot. Bonds

About 1-(3-fluoro-4-hydroxypiperidin-1-yl)ethanone

1-(3-fluoro-4-hydroxypiperidin-1-yl)ethanone (PubChem CID 146158260) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 1-(3-fluoro-4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-hydroxypiperidin-1-yl)ethanone
PubChem CID146158260
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name1-(3-fluoro-4-hydroxypiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(O)C(F)C1
InChIInChI=1S/C7H12FNO2/c1-5(10)9-3-2-7(11)6(8)4-9/h6-7,11H,2-4H2,1H3
InChIKeyPMZDRBGIHKWXPU-UHFFFAOYSA-N
XLogP-0.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(3-fluoro-4-hydroxypiperidin-1-yl)ethanone (CID 146158260) is 1-(3-fluoro-4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-fluoro-4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(3-fluoro-4-hydroxypiperidin-1-yl)ethanone is CC(=O)N1CCC(O)C(F)C1.
What is the InChIKey of 1-(3-fluoro-4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is PMZDRBGIHKWXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-5(10)9-3-2-7(11)6(8)4-9/h6-7,11H,2-4H2,1H3.
What are the key properties of 1-(3-fluoro-4-hydroxypiperidin-1-yl)ethanone?
1-(3-fluoro-4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 161.18 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 146158260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).