2-fluoro-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one

C9H16FNO2 — CID 130165015

IUPAC2-fluoro-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)N1CCC(O)CC1
InChIInChI=1S/C9H16FNO2/c1-9(2,10)8(13)11-5-3-7(12)4-6-11/h7,12H,3-6H2,1-2H3
InChIKeyJGWGHRIUFBTOGK-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.72
Rot. Bonds1

About 2-fluoro-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one

2-fluoro-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 130165015) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-fluoro-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-fluoro-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
PubChem CID130165015
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name2-fluoro-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)N1CCC(O)CC1
InChIInChI=1S/C9H16FNO2/c1-9(2,10)8(13)11-5-3-7(12)4-6-11/h7,12H,3-6H2,1-2H3
InChIKeyJGWGHRIUFBTOGK-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-fluoro-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one (CID 130165015) is 2-fluoro-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-fluoro-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-fluoro-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one is CC(C)(F)C(=O)N1CCC(O)CC1.
What is the InChIKey of 2-fluoro-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is JGWGHRIUFBTOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-9(2,10)8(13)11-5-3-7(12)4-6-11/h7,12H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
2-fluoro-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 189.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 130165015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).