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

C15H20FNO3 — CID 102677558

IUPAC(2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C)C(OC)C2)c(F)c1
InChIInChI=1S/C15H20FNO3/c1-10-6-7-17(9-14(10)20-3)15(18)12-5-4-11(19-2)8-13(12)16/h4-5,8,10,14H,6-7,9H2,1-3H3
InChIKeyVXAFNWWFLSVMDF-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.33
Rot. Bonds3

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

(2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102677558) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
PubChem CID102677558
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C)C(OC)C2)c(F)c1
InChIInChI=1S/C15H20FNO3/c1-10-6-7-17(9-14(10)20-3)15(18)12-5-4-11(19-2)8-13(12)16/h4-5,8,10,14H,6-7,9H2,1-3H3
InChIKeyVXAFNWWFLSVMDF-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103807097
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 113265524
(3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677604
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 103628835
1-(2-fluoro-4-methoxybenzoyl)piperidine-4-carbothioamide
CID 102883173
(5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677669
[3-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102884020
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102885409
(2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 103804906
(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 103709651
tert-butyl (2R,6R)-4-(2-fluoro-4-methoxybenzoyl)-2,6-dimethylpiperazine-1-carboxylate
CID 156743224

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (CID 102677558) is (2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone is COc1ccc(C(=O)N2CCC(C)C(OC)C2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is VXAFNWWFLSVMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-10-6-7-17(9-14(10)20-3)15(18)12-5-4-11(19-2)8-13(12)16/h4-5,8,10,14H,6-7,9H2,1-3H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
(2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 281.33 g/mol, XLogP of 2.33, 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-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102677558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).