2-[2-(4-fluorophenyl)phenoxy]-1-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]ethanone

C27H28FNO3 — CID 140911854

IUPAC2-[2-(4-fluorophenyl)phenoxy]-1-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1-c1ccc(F)cc1)N1CCC(CCc2ccc(O)cc2)CC1
InChIInChI=1S/C27H28FNO3/c28-23-11-9-22(10-12-23)25-3-1-2-4-26(25)32-19-27(31)29-17-15-21(16-18-29)6-5-20-7-13-24(30)14-8-20/h1-4,7-14,21,30H,5-6,15-19H2
InChIKeyPCZFHUHOKSIKAI-UHFFFAOYSA-N
MW433.52 g/mol
LogP5.45
Rot. Bonds7

About 2-[2-(4-fluorophenyl)phenoxy]-1-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]ethanone

2-[2-(4-fluorophenyl)phenoxy]-1-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]ethanone (PubChem CID 140911854) has the molecular formula C27H28FNO3 and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)phenoxy]-1-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)phenoxy]-1-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]ethanone
PubChem CID140911854
Molecular FormulaC27H28FNO3
Molecular Weight433.52 g/mol
Exact Mass433.21
IUPAC Name2-[2-(4-fluorophenyl)phenoxy]-1-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1-c1ccc(F)cc1)N1CCC(CCc2ccc(O)cc2)CC1
InChIInChI=1S/C27H28FNO3/c28-23-11-9-22(10-12-23)25-3-1-2-4-26(25)32-19-27(31)29-17-15-21(16-18-29)6-5-20-7-13-24(30)14-8-20/h1-4,7-14,21,30H,5-6,15-19H2
InChIKeyPCZFHUHOKSIKAI-UHFFFAOYSA-N
XLogP5.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-fluorophenyl)phenoxy]-1-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

4-{8-Fluoro-5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[b]oxepin-4-yl}-phenol
CID 25110672
4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenol
CID 127030255
1-(4-Benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 887582
1-(4-Morpholinyl)-2-(4-phenylphenoxy)-1-propanone
CID 2968920
2-(4-Fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2927893
4-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-ethoxy}-phenol
CID 10522889
N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide
CID 2538771
N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride
CID 6602904
4-{8-Fluoro-5-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[b]oxepin-4-yl}-phenol
CID 44590136
4-[8-Fluoro-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1-benzoxepin-5-yl]phenol
CID 44590137
(E)-3-[4-[8-fluoro-4-(4-hydroxyphenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenyl]-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 145967622
2-Fluoro-4-[4-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]selenophen-3-yl]phenol
CID 145981553

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)phenoxy]-1-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[2-(4-fluorophenyl)phenoxy]-1-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]ethanone (CID 140911854) is 2-[2-(4-fluorophenyl)phenoxy]-1-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(4-fluorophenyl)phenoxy]-1-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(4-fluorophenyl)phenoxy]-1-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]ethanone is O=C(COc1ccccc1-c1ccc(F)cc1)N1CCC(CCc2ccc(O)cc2)CC1.
What is the InChIKey of 2-[2-(4-fluorophenyl)phenoxy]-1-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is PCZFHUHOKSIKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FNO3/c28-23-11-9-22(10-12-23)25-3-1-2-4-26(25)32-19-27(31)29-17-15-21(16-18-29)6-5-20-7-13-24(30)14-8-20/h1-4,7-14,21,30H,5-6,15-19H2.
What are the key properties of 2-[2-(4-fluorophenyl)phenoxy]-1-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]ethanone?
2-[2-(4-fluorophenyl)phenoxy]-1-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 433.52 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)phenoxy]-1-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 140911854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).