4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol

C20H24FNO2 — CID 10522889

IUPAC4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol
SMILESOc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FNO2/c21-18-3-1-16(2-4-18)15-17-9-11-22(12-10-17)13-14-24-20-7-5-19(23)6-8-20/h1-8,17,23H,9-15H2
InChIKeyHVAIXAGEXCAFHX-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.86
Rot. Bonds6

About 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol

4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol (PubChem CID 10522889) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol.

Molecular Properties

Compound Name4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol
PubChem CID10522889
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol
SMILESOc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FNO2/c21-18-3-1-16(2-4-18)15-17-9-11-22(12-10-17)13-14-24-20-7-5-19(23)6-8-20/h1-8,17,23H,9-15H2
InChIKeyHVAIXAGEXCAFHX-UHFFFAOYSA-N
XLogP3.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol?
The IUPAC name of 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol (CID 10522889) is 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol.
What is the SMILES notation for 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol?
The canonical SMILES for 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol is Oc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol?
The InChIKey is HVAIXAGEXCAFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c21-18-3-1-16(2-4-18)15-17-9-11-22(12-10-17)13-14-24-20-7-5-19(23)6-8-20/h1-8,17,23H,9-15H2.
What are the key properties of 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol?
4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol has a molecular weight of 329.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol is sourced from PubChem (CID 10522889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).