1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one

C16H22FNO2 — CID 63972803

IUPAC1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
SMILESCOCC1CCN(CCC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H22FNO2/c1-20-12-13-5-8-18(9-6-13)10-7-16(19)14-3-2-4-15(17)11-14/h2-4,11,13H,5-10,12H2,1H3
InChIKeyQVTGKWSQYYLJER-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.76
Rot. Bonds6

About 1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one

1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 63972803) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
PubChem CID63972803
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
SMILESCOCC1CCN(CCC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H22FNO2/c1-20-12-13-5-8-18(9-6-13)10-7-16(19)14-3-2-4-15(17)11-14/h2-4,11,13H,5-10,12H2,1H3
InChIKeyQVTGKWSQYYLJER-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62643546
3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 79183544
3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid
CID 63971546
1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutane-1,4-dione
CID 71984258
3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 10294335
3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one
CID 62619215
1-(4-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
CID 64597984
1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024778
1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one
CID 62628820
1-(3-bromophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597175
1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 121091399
2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone
CID 43797315

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one (CID 63972803) is 1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one is COCC1CCN(CCC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is QVTGKWSQYYLJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-20-12-13-5-8-18(9-6-13)10-7-16(19)14-3-2-4-15(17)11-14/h2-4,11,13H,5-10,12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one?
1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 279.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 63972803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).