1-(4-fluoropiperidin-4-yl)ethanone

C7H12FNO — CID 58293877

IUPAC1-(4-fluoropiperidin-4-yl)ethanone
SMILESCC(=O)C1(F)CCNCC1
InChIInChI=1S/C7H12FNO/c1-6(10)7(8)2-4-9-5-3-7/h9H,2-5H2,1H3
InChIKeyJGXQZBSBNGGRCU-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.67
Rot. Bonds1

About 1-(4-fluoropiperidin-4-yl)ethanone

1-(4-fluoropiperidin-4-yl)ethanone (PubChem CID 58293877) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-(4-fluoropiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluoropiperidin-4-yl)ethanone
PubChem CID58293877
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-(4-fluoropiperidin-4-yl)ethanone
SMILESCC(=O)C1(F)CCNCC1
InChIInChI=1S/C7H12FNO/c1-6(10)7(8)2-4-9-5-3-7/h9H,2-5H2,1H3
InChIKeyJGXQZBSBNGGRCU-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoropiperidin-4-yl)ethanone?
The IUPAC name of 1-(4-fluoropiperidin-4-yl)ethanone (CID 58293877) is 1-(4-fluoropiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(4-fluoropiperidin-4-yl)ethanone?
The canonical SMILES for 1-(4-fluoropiperidin-4-yl)ethanone is CC(=O)C1(F)CCNCC1.
What is the InChIKey of 1-(4-fluoropiperidin-4-yl)ethanone?
The InChIKey is JGXQZBSBNGGRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-6(10)7(8)2-4-9-5-3-7/h9H,2-5H2,1H3.
What are the key properties of 1-(4-fluoropiperidin-4-yl)ethanone?
1-(4-fluoropiperidin-4-yl)ethanone has a molecular weight of 145.18 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoropiperidin-4-yl)ethanone is sourced from PubChem (CID 58293877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).