1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanone

C8H14FNO2 — CID 126741650

IUPAC1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(F)(CO)CC1
InChIInChI=1S/C8H14FNO2/c1-7(12)10-4-2-8(9,6-11)3-5-10/h11H,2-6H2,1H3
InChIKeySYDLLNCPUFUHMO-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.33
Rot. Bonds1

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

1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 126741650) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID126741650
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(F)(CO)CC1
InChIInChI=1S/C8H14FNO2/c1-7(12)10-4-2-8(9,6-11)3-5-10/h11H,2-6H2,1H3
InChIKeySYDLLNCPUFUHMO-UHFFFAOYSA-N
XLogP0.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanone (CID 126741650) is 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(F)(CO)CC1.
What is the InChIKey of 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is SYDLLNCPUFUHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-7(12)10-4-2-8(9,6-11)3-5-10/h11H,2-6H2,1H3.
What are the key properties of 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanone?
1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 175.20 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 126741650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).