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

C8H16FNO2 — CID 146230855

IUPAC1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanol
SMILESCC(O)N1CCC(F)(CO)CC1
InChIInChI=1S/C8H16FNO2/c1-7(12)10-4-2-8(9,6-11)3-5-10/h7,11-12H,2-6H2,1H3
InChIKeyLVJKUCAOYSFFTE-UHFFFAOYSA-N
MW177.22 g/mol
LogP0.12
Rot. Bonds2

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

1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanol (PubChem CID 146230855) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanol
PubChem CID146230855
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanol
SMILESCC(O)N1CCC(F)(CO)CC1
InChIInChI=1S/C8H16FNO2/c1-7(12)10-4-2-8(9,6-11)3-5-10/h7,11-12H,2-6H2,1H3
InChIKeyLVJKUCAOYSFFTE-UHFFFAOYSA-N
XLogP0.12
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanol?
The IUPAC name of 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanol (CID 146230855) is 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanol is CC(O)N1CCC(F)(CO)CC1.
What is the InChIKey of 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanol?
The InChIKey is LVJKUCAOYSFFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-7(12)10-4-2-8(9,6-11)3-5-10/h7,11-12H,2-6H2,1H3.
What are the key properties of 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanol?
1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanol has a molecular weight of 177.22 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 146230855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).