2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol

C20H24FNO3 — CID 111381841

IUPAC2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CN2CCC(Oc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H24FNO3/c1-24-19-4-2-3-15(13-19)20(23)14-22-11-9-18(10-12-22)25-17-7-5-16(21)6-8-17/h2-8,13,18,20,23H,9-12,14H2,1H3
InChIKeyOHAHFUCHBCWWFA-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.41
Rot. Bonds6

About 2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol

2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol (PubChem CID 111381841) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
PubChem CID111381841
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CN2CCC(Oc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H24FNO3/c1-24-19-4-2-3-15(13-19)20(23)14-22-11-9-18(10-12-22)25-17-7-5-16(21)6-8-17/h2-8,13,18,20,23H,9-12,14H2,1H3
InChIKeyOHAHFUCHBCWWFA-UHFFFAOYSA-N
XLogP3.41
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822
2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 115688624
1-(4-fluorophenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 110883521
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 112706792
1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol
CID 111436470
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165585
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041914
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764
1-(4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 54944641
2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 62231335
2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 81134999

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol (CID 111381841) is 2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CN2CCC(Oc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol?
The InChIKey is OHAHFUCHBCWWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-24-19-4-2-3-15(13-19)20(23)14-22-11-9-18(10-12-22)25-17-7-5-16(21)6-8-17/h2-8,13,18,20,23H,9-12,14H2,1H3.
What are the key properties of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol?
2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol has a molecular weight of 345.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 111381841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).