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

C28H31NO4 — CID 140911921

IUPAC1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone
SMILESCOc1ccc(CCC2(O)CCN(C(=O)COc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C28H31NO4/c1-32-24-13-11-22(12-14-24)15-16-28(31)17-19-29(20-18-28)27(30)21-33-26-10-6-5-9-25(26)23-7-3-2-4-8-23/h2-14,31H,15-21H2,1H3
InChIKeyOLFPUWYVTYDVTR-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.73
Rot. Bonds8

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

1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone (PubChem CID 140911921) has the molecular formula C28H31NO4 and a molecular weight of 445.56 g/mol. Its IUPAC name is 1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone
PubChem CID140911921
Molecular FormulaC28H31NO4
Molecular Weight445.56 g/mol
Exact Mass445.23
IUPAC Name1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone
SMILESCOc1ccc(CCC2(O)CCN(C(=O)COc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C28H31NO4/c1-32-24-13-11-22(12-14-24)15-16-28(31)17-19-29(20-18-28)27(30)21-33-26-10-6-5-9-25(26)23-7-3-2-4-8-23/h2-14,31H,15-21H2,1H3
InChIKeyOLFPUWYVTYDVTR-UHFFFAOYSA-N
XLogP4.73
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 35741660
1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 140911765
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one
CID 112823833
4-[2-[1-[2-(2-phenylphenoxy)acetyl]piperidin-4-yl]ethyl]benzoic acid
CID 140911738
N,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide
CID 78779545
1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid
CID 134073522
1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618226
2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone
CID 9180755
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173
2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone
CID 134802866
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433455

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone?
The IUPAC name of 1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone (CID 140911921) is 1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone.
What is the SMILES notation for 1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone?
The canonical SMILES for 1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone is COc1ccc(CCC2(O)CCN(C(=O)COc3ccccc3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone?
The InChIKey is OLFPUWYVTYDVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO4/c1-32-24-13-11-22(12-14-24)15-16-28(31)17-19-29(20-18-28)27(30)21-33-26-10-6-5-9-25(26)23-7-3-2-4-8-23/h2-14,31H,15-21H2,1H3.
What are the key properties of 1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone?
1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone has a molecular weight of 445.56 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone is sourced from PubChem (CID 140911921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).