1-(5-fluoropiperidin-3-yl)ethanone

C7H12FNO — CID 144806464

IUPAC1-(5-fluoropiperidin-3-yl)ethanone
SMILESCC(=O)C1CNCC(F)C1
InChIInChI=1S/C7H12FNO/c1-5(10)6-2-7(8)4-9-3-6/h6-7,9H,2-4H2,1H3
InChIKeyHLRQEDZIQOYXBI-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.52
Rot. Bonds1

About 1-(5-fluoropiperidin-3-yl)ethanone

1-(5-fluoropiperidin-3-yl)ethanone (PubChem CID 144806464) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-(5-fluoropiperidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoropiperidin-3-yl)ethanone
PubChem CID144806464
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-(5-fluoropiperidin-3-yl)ethanone
SMILESCC(=O)C1CNCC(F)C1
InChIInChI=1S/C7H12FNO/c1-5(10)6-2-7(8)4-9-3-6/h6-7,9H,2-4H2,1H3
InChIKeyHLRQEDZIQOYXBI-UHFFFAOYSA-N
XLogP0.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropiperidin-3-yl)ethanone?
The IUPAC name of 1-(5-fluoropiperidin-3-yl)ethanone (CID 144806464) is 1-(5-fluoropiperidin-3-yl)ethanone.
What is the SMILES notation for 1-(5-fluoropiperidin-3-yl)ethanone?
The canonical SMILES for 1-(5-fluoropiperidin-3-yl)ethanone is CC(=O)C1CNCC(F)C1.
What is the InChIKey of 1-(5-fluoropiperidin-3-yl)ethanone?
The InChIKey is HLRQEDZIQOYXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-5(10)6-2-7(8)4-9-3-6/h6-7,9H,2-4H2,1H3.
What are the key properties of 1-(5-fluoropiperidin-3-yl)ethanone?
1-(5-fluoropiperidin-3-yl)ethanone has a molecular weight of 145.18 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropiperidin-3-yl)ethanone is sourced from PubChem (CID 144806464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).