2-[4-fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol

C11H22FNO2 — CID 58303746

IUPAC2-[4-fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol
SMILESCC(C)OCC1(F)CCN(CCO)CC1
InChIInChI=1S/C11H22FNO2/c1-10(2)15-9-11(12)3-5-13(6-4-11)7-8-14/h10,14H,3-9H2,1-2H3
InChIKeyLWXLGOWZUDGXIO-UHFFFAOYSA-N
MW219.30 g/mol
LogP1.21
Rot. Bonds5

About 2-[4-fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol

2-[4-fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol (PubChem CID 58303746) has the molecular formula C11H22FNO2 and a molecular weight of 219.30 g/mol. Its IUPAC name is 2-[4-fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol
PubChem CID58303746
Molecular FormulaC11H22FNO2
Molecular Weight219.30 g/mol
Exact Mass219.16
IUPAC Name2-[4-fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol
SMILESCC(C)OCC1(F)CCN(CCO)CC1
InChIInChI=1S/C11H22FNO2/c1-10(2)15-9-11(12)3-5-13(6-4-11)7-8-14/h10,14H,3-9H2,1-2H3
InChIKeyLWXLGOWZUDGXIO-UHFFFAOYSA-N
XLogP1.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol (CID 58303746) is 2-[4-fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol is CC(C)OCC1(F)CCN(CCO)CC1.
What is the InChIKey of 2-[4-fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol?
The InChIKey is LWXLGOWZUDGXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2/c1-10(2)15-9-11(12)3-5-13(6-4-11)7-8-14/h10,14H,3-9H2,1-2H3.
What are the key properties of 2-[4-fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol?
2-[4-fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol has a molecular weight of 219.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 58303746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).