(2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

C15H20FNO3 — CID 107392243

IUPAC(2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(C)(OC)C2)c(F)c1
InChIInChI=1S/C15H20FNO3/c1-15(20-3)7-4-8-17(10-15)14(18)12-6-5-11(19-2)9-13(12)16/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyJDRGJBMJSQJVFZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.48
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

(2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107392243) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
PubChem CID107392243
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(C)(OC)C2)c(F)c1
InChIInChI=1S/C15H20FNO3/c1-15(20-3)7-4-8-17(10-15)14(18)12-6-5-11(19-2)9-13(12)16/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyJDRGJBMJSQJVFZ-UHFFFAOYSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404168
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 142469619
[(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 124679751
1-(azepan-1-yl)-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 86911352
(3-methoxy-3-methylpiperidin-1-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107396054
(3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102885380
(3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107395020
(2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392968
(2-hydroxy-5-methoxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875374
(2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 102883842
1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 115413220

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (CID 107392243) is (2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is COc1ccc(C(=O)N2CCCC(C)(OC)C2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is JDRGJBMJSQJVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-15(20-3)7-4-8-17(10-15)14(18)12-6-5-11(19-2)9-13(12)16/h5-6,9H,4,7-8,10H2,1-3H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
(2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 281.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107392243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).