(2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone

C15H20FNO2 — CID 103687923

IUPAC(2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C)CC2C)c(F)c1
InChIInChI=1S/C15H20FNO2/c1-10-6-7-17(11(2)8-10)15(18)13-5-4-12(19-3)9-14(13)16/h4-5,9-11H,6-8H2,1-3H3
InChIKeyPUXPSSRXNURBQF-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.09
Rot. Bonds2

About (2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone

(2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 103687923) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID103687923
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C)CC2C)c(F)c1
InChIInChI=1S/C15H20FNO2/c1-10-6-7-17(11(2)8-10)15(18)13-5-4-12(19-3)9-14(13)16/h4-5,9-11H,6-8H2,1-3H3
InChIKeyPUXPSSRXNURBQF-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 103709651
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102885409
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103715025
1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741876
1-(2-fluoro-4-methoxybenzoyl)pyrrolidine-2-carbothioamide
CID 102883167
1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741867
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid
CID 103628823
(4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103807097
(2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677558
(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone
CID 81304901
(4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62332096

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone (CID 103687923) is (2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(C)CC2C)c(F)c1.
What is the InChIKey of (2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is PUXPSSRXNURBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10-6-7-17(11(2)8-10)15(18)13-5-4-12(19-3)9-14(13)16/h4-5,9-11H,6-8H2,1-3H3.
What are the key properties of (2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone?
(2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 265.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 103687923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).