1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one

C13H16FNO2 — CID 114839933

IUPAC1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one
SMILESCOc1cc(N2CCC(=O)C(C)C2)ccc1F
InChIInChI=1S/C13H16FNO2/c1-9-8-15(6-5-12(9)16)10-3-4-11(14)13(7-10)17-2/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyPPUZTHNMJIQIML-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.25
Rot. Bonds2

About 1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one

1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one (PubChem CID 114839933) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one
PubChem CID114839933
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one
SMILESCOc1cc(N2CCC(=O)C(C)C2)ccc1F
InChIInChI=1S/C13H16FNO2/c1-9-8-15(6-5-12(9)16)10-3-4-11(14)13(7-10)17-2/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyPPUZTHNMJIQIML-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-fluorophenyl)-3-methylpiperidin-4-one
CID 104779274
1-(4-fluoro-3-methoxyphenyl)-3,6-dimethyl-1,5-diazocane
CID 114840672
1-(3,5-dichloro-4-fluorophenyl)-3-methylpiperidin-4-one
CID 107574812
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-amine
CID 114839949
(NZ)-N-[1-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 22308113
1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one
CID 79396922
3-ethyl-1-(4-fluoro-3-methoxyphenyl)-1,4-diazepane
CID 114840926
(3R)-1-(3-fluoro-4-methoxyphenyl)-3-methylpiperazine
CID 67332275
5-(4-fluoro-3-methoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 126534001
4-(bromomethyl)-1-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one
CID 168504141
(2S)-1-(4-fluoro-3-methoxyphenyl)-2-methylpiperazine
CID 96908124
3-ethyl-1-(4-fluoro-3-methoxyphenyl)-1,4-diazepane-2,5-dione
CID 114840984

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one (CID 114839933) is 1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one is COc1cc(N2CCC(=O)C(C)C2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one?
The InChIKey is PPUZTHNMJIQIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-8-15(6-5-12(9)16)10-3-4-11(14)13(7-10)17-2/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one?
1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one has a molecular weight of 237.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one is sourced from PubChem (CID 114839933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).