2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol

C14H20FNO2 — CID 117238738

IUPAC2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC(C(O)COc2ccccc2F)CC1
InChIInChI=1S/C14H20FNO2/c1-16-8-6-11(7-9-16)13(17)10-18-14-5-3-2-4-12(14)15/h2-5,11,13,17H,6-10H2,1H3
InChIKeyZJUDYKKBEFIXQY-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.91
Rot. Bonds4

About 2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol

2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol (PubChem CID 117238738) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
PubChem CID117238738
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC(C(O)COc2ccccc2F)CC1
InChIInChI=1S/C14H20FNO2/c1-16-8-6-11(7-9-16)13(17)10-18-14-5-3-2-4-12(14)15/h2-5,11,13,17H,6-10H2,1H3
InChIKeyZJUDYKKBEFIXQY-UHFFFAOYSA-N
XLogP1.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238747
2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
CID 117237280
2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237264
2-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethoxy]phenol
CID 117238771
4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238923
1-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenoxy)ethanol
CID 117238772
2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238916
2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
CID 117239219
1-cyclopentyl-2-(2-propoxyphenoxy)ethanol
CID 104753565
1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 45126222
1-cyclopentyl-2-(2-methoxyphenoxy)ethanol
CID 113449278
2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol
CID 117237799

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol?
The IUPAC name of 2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol (CID 117238738) is 2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol?
The canonical SMILES for 2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol is CN1CCC(C(O)COc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol?
The InChIKey is ZJUDYKKBEFIXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16-8-6-11(7-9-16)13(17)10-18-14-5-3-2-4-12(14)15/h2-5,11,13,17H,6-10H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol?
2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol has a molecular weight of 253.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol is sourced from PubChem (CID 117238738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).