2-(4-fluoro-2-phenylphenoxy)-1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone

C28H30FNO4 — CID 140911673

IUPAC2-(4-fluoro-2-phenylphenoxy)-1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CCC2(O)CCN(C(=O)COc3ccc(F)cc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C28H30FNO4/c1-33-24-10-7-21(8-11-24)13-14-28(32)15-17-30(18-16-28)27(31)20-34-26-12-9-23(29)19-25(26)22-5-3-2-4-6-22/h2-12,19,32H,13-18,20H2,1H3
InChIKeyJWGPPPNAVNLVSD-UHFFFAOYSA-N
MW463.55 g/mol
LogP4.87
Rot. Bonds8

About 2-(4-fluoro-2-phenylphenoxy)-1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone

2-(4-fluoro-2-phenylphenoxy)-1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone (PubChem CID 140911673) has the molecular formula C28H30FNO4 and a molecular weight of 463.55 g/mol. Its IUPAC name is 2-(4-fluoro-2-phenylphenoxy)-1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluoro-2-phenylphenoxy)-1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone
PubChem CID140911673
Molecular FormulaC28H30FNO4
Molecular Weight463.55 g/mol
Exact Mass463.22
IUPAC Name2-(4-fluoro-2-phenylphenoxy)-1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CCC2(O)CCN(C(=O)COc3ccc(F)cc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C28H30FNO4/c1-33-24-10-7-21(8-11-24)13-14-28(32)15-17-30(18-16-28)27(31)20-34-26-12-9-23(29)19-25(26)22-5-3-2-4-6-22/h2-12,19,32H,13-18,20H2,1H3
InChIKeyJWGPPPNAVNLVSD-UHFFFAOYSA-N
XLogP4.87
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluoro-2-phenylphenoxy)-1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

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
N,N-diethyl-2-(4-phenylphenoxy)acetamide
CID 717707
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
7-[2-(4-Fluorophenoxy)acetyl]-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 44560592
4-{8-Fluoro-5-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[b]oxepin-4-yl}-phenol
CID 44590136
1-[4-(4-Ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(2-fluorophenyl)phenoxy]ethanone
CID 145984154
1-[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]-2-(4-phenylphenoxy)ethanone
CID 145991091
1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 17521965
Las 30538
CID 132693

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-phenylphenoxy)-1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluoro-2-phenylphenoxy)-1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone (CID 140911673) is 2-(4-fluoro-2-phenylphenoxy)-1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluoro-2-phenylphenoxy)-1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluoro-2-phenylphenoxy)-1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone is COc1ccc(CCC2(O)CCN(C(=O)COc3ccc(F)cc3-c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-fluoro-2-phenylphenoxy)-1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is JWGPPPNAVNLVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FNO4/c1-33-24-10-7-21(8-11-24)13-14-28(32)15-17-30(18-16-28)27(31)20-34-26-12-9-23(29)19-25(26)22-5-3-2-4-6-22/h2-12,19,32H,13-18,20H2,1H3.
What are the key properties of 2-(4-fluoro-2-phenylphenoxy)-1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone?
2-(4-fluoro-2-phenylphenoxy)-1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 463.55 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-phenylphenoxy)-1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 140911673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).