1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one

C14H18FNO2 — CID 79396922

IUPAC1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one
SMILESCOc1ccc(N2CCC(=O)C(C)C2C)cc1F
InChIInChI=1S/C14H18FNO2/c1-9-10(2)16(7-6-13(9)17)11-4-5-14(18-3)12(15)8-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyBPVJXKVHWLIZKL-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.64
Rot. Bonds2

About 1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one

1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one (PubChem CID 79396922) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one
PubChem CID79396922
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one
SMILESCOc1ccc(N2CCC(=O)C(C)C2C)cc1F
InChIInChI=1S/C14H18FNO2/c1-9-10(2)16(7-6-13(9)17)11-4-5-14(18-3)12(15)8-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyBPVJXKVHWLIZKL-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2,3-dimethylpiperidin-4-one
CID 79397440
1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one
CID 79397286
1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 142754617
1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one
CID 114839933
(3R)-1-(3-fluoro-4-methoxyphenyl)-3-methylpiperazine
CID 67332275
4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione
CID 58393490
1-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)aziridine
CID 175746367
1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 67775079
1,3-dicyclopropyl-5-(3-fluoro-4-methoxyphenyl)-1,3,5-triazinane
CID 91402062
(2S)-1-(4-fluoro-3-methoxyphenyl)-2-methylpiperazine
CID 96908124
1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine
CID 64934821
1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696566

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one (CID 79396922) is 1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one is COc1ccc(N2CCC(=O)C(C)C2C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one?
The InChIKey is BPVJXKVHWLIZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-10(2)16(7-6-13(9)17)11-4-5-14(18-3)12(15)8-11/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one?
1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one has a molecular weight of 251.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2,3-dimethylpiperidin-4-one is sourced from PubChem (CID 79396922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).