2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone

C21H24FNO3 — CID 155990933

IUPAC2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
SMILESCOC1(COc2ccccc2)CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C21H24FNO3/c1-25-21(16-26-19-6-3-2-4-7-19)12-5-13-23(15-21)20(24)14-17-8-10-18(22)11-9-17/h2-4,6-11H,5,12-16H2,1H3
InChIKeyHOKQWHPOTFJDLW-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.45
Rot. Bonds6

About 2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone (PubChem CID 155990933) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
PubChem CID155990933
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
SMILESCOC1(COc2ccccc2)CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C21H24FNO3/c1-25-21(16-26-19-6-3-2-4-7-19)12-5-13-23(15-21)20(24)14-17-8-10-18(22)11-9-17/h2-4,6-11H,5,12-16H2,1H3
InChIKeyHOKQWHPOTFJDLW-UHFFFAOYSA-N
XLogP3.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 155990838
2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride
CID 171687664
[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 155992013
2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 131662022
1-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-2-phenylethanone
CID 155990787
6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 124980363
1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 132764475
(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
CID 95087574
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 132776924
3-[[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 132777552
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 171687669
1-[2-(4-fluorophenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117070

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone (CID 155990933) is 2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone is COC1(COc2ccccc2)CCCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is HOKQWHPOTFJDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-25-21(16-26-19-6-3-2-4-7-19)12-5-13-23(15-21)20(24)14-17-8-10-18(22)11-9-17/h2-4,6-11H,5,12-16H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 357.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 155990933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).