2-(3-fluorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone

C19H20FNO3 — CID 51327385

IUPAC2-(3-fluorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone
SMILESO=C(COc1cccc(F)c1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H20FNO3/c20-16-2-1-3-18(12-16)24-13-19(23)21-10-8-15(9-11-21)14-4-6-17(22)7-5-14/h1-7,12,15,22H,8-11,13H2
InChIKeyVPCYPDZCRJBMQQ-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.32
Rot. Bonds4

About 2-(3-fluorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone

2-(3-fluorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone (PubChem CID 51327385) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone
PubChem CID51327385
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name2-(3-fluorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone
SMILESO=C(COc1cccc(F)c1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H20FNO3/c20-16-2-1-3-18(12-16)24-13-19(23)21-10-8-15(9-11-21)14-4-6-17(22)7-5-14/h1-7,12,15,22H,8-11,13H2
InChIKeyVPCYPDZCRJBMQQ-UHFFFAOYSA-N
XLogP3.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone (CID 51327385) is 2-(3-fluorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone is O=C(COc1cccc(F)c1)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 2-(3-fluorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone?
The InChIKey is VPCYPDZCRJBMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-16-2-1-3-18(12-16)24-13-19(23)21-10-8-15(9-11-21)14-4-6-17(22)7-5-14/h1-7,12,15,22H,8-11,13H2.
What are the key properties of 2-(3-fluorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone?
2-(3-fluorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone has a molecular weight of 329.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 51327385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).