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

C15H20FNO2 — CID 106587715

IUPAC1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
SMILESCOCC1CCCN(CC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO2/c1-19-11-12-3-2-8-17(9-12)10-15(18)13-4-6-14(16)7-5-13/h4-7,12H,2-3,8-11H2,1H3
InChIKeyRFVAKPQFTPNEEF-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.37
Rot. Bonds5

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

1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone (PubChem CID 106587715) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
PubChem CID106587715
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
SMILESCOCC1CCCN(CC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO2/c1-19-11-12-3-2-8-17(9-12)10-15(18)13-4-6-14(16)7-5-13/h4-7,12H,2-3,8-11H2,1H3
InChIKeyRFVAKPQFTPNEEF-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587713
1-(4-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
CID 64597984
2-[3-(methoxymethyl)piperidin-1-yl]-1-(2,4,5-trimethylphenyl)ethanone
CID 106587762
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106587711
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 103196893
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597987
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429432
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetamide
CID 110258523
3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106589648
[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate
CID 175555428
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 14677538

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone (CID 106587715) is 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone is COCC1CCCN(CC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is RFVAKPQFTPNEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-19-11-12-3-2-8-17(9-12)10-15(18)13-4-6-14(16)7-5-13/h4-7,12H,2-3,8-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone?
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 265.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 106587715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).