2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(5-fluoro-2-methylphenyl)ethyl]piperidin-1-yl]ethanone

C28H29F2NO3 — CID 140911726

IUPAC2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(5-fluoro-2-methylphenyl)ethyl]piperidin-1-yl]ethanone
SMILESCc1ccc(F)cc1CCC1CCN(C(=O)COc2ccccc2-c2ccc(F)cc2O)CC1
InChIInChI=1S/C28H29F2NO3/c1-19-6-9-22(29)16-21(19)8-7-20-12-14-31(15-13-20)28(33)18-34-27-5-3-2-4-25(27)24-11-10-23(30)17-26(24)32/h2-6,9-11,16-17,20,32H,7-8,12-15,18H2,1H3
InChIKeyPMTVIKSKOSYYCC-UHFFFAOYSA-N
MW465.54 g/mol
LogP5.90
Rot. Bonds7

About 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(5-fluoro-2-methylphenyl)ethyl]piperidin-1-yl]ethanone

2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(5-fluoro-2-methylphenyl)ethyl]piperidin-1-yl]ethanone (PubChem CID 140911726) has the molecular formula C28H29F2NO3 and a molecular weight of 465.54 g/mol. Its IUPAC name is 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(5-fluoro-2-methylphenyl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(5-fluoro-2-methylphenyl)ethyl]piperidin-1-yl]ethanone
PubChem CID140911726
Molecular FormulaC28H29F2NO3
Molecular Weight465.54 g/mol
Exact Mass465.21
IUPAC Name2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(5-fluoro-2-methylphenyl)ethyl]piperidin-1-yl]ethanone
SMILESCc1ccc(F)cc1CCC1CCN(C(=O)COc2ccccc2-c2ccc(F)cc2O)CC1
InChIInChI=1S/C28H29F2NO3/c1-19-6-9-22(29)16-21(19)8-7-20-12-14-31(15-13-20)28(33)18-34-27-5-3-2-4-25(27)24-11-10-23(30)17-26(24)32/h2-6,9-11,16-17,20,32H,7-8,12-15,18H2,1H3
InChIKeyPMTVIKSKOSYYCC-UHFFFAOYSA-N
XLogP5.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.54
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(5-fluoro-2-methylphenyl)ethyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(4-Benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 887582
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
Las 30538
CID 132693
1-(4-Benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
4-Benzyl-1-[2-(2-methylphenoxy)propanoyl]piperidine
CID 2977952
1-(3-Methylpiperidin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 4247104
4-[(E)-2-fluoro-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]phenol
CID 71567650
alpha,alpha-Bis(4-fluorophenyl)-1-[3-(2-methylphenoxy)propyl]-4-piperidinemethanol
CID 23036434
1-[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 127053403
2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-phenylethyl)acetamide
CID 134249320

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(5-fluoro-2-methylphenyl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(5-fluoro-2-methylphenyl)ethyl]piperidin-1-yl]ethanone (CID 140911726) is 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(5-fluoro-2-methylphenyl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(5-fluoro-2-methylphenyl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(5-fluoro-2-methylphenyl)ethyl]piperidin-1-yl]ethanone is Cc1ccc(F)cc1CCC1CCN(C(=O)COc2ccccc2-c2ccc(F)cc2O)CC1.
What is the InChIKey of 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(5-fluoro-2-methylphenyl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is PMTVIKSKOSYYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2NO3/c1-19-6-9-22(29)16-21(19)8-7-20-12-14-31(15-13-20)28(33)18-34-27-5-3-2-4-25(27)24-11-10-23(30)17-26(24)32/h2-6,9-11,16-17,20,32H,7-8,12-15,18H2,1H3.
What are the key properties of 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(5-fluoro-2-methylphenyl)ethyl]piperidin-1-yl]ethanone?
2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(5-fluoro-2-methylphenyl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 465.54 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(5-fluoro-2-methylphenyl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 140911726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).