1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]ethanone

C15H20FNO2 — CID 22400323

IUPAC1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(F)c(CC2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C15H20FNO2/c1-11(18)17-7-5-12(6-8-17)9-13-10-14(19-2)3-4-15(13)16/h3-4,10,12H,5-9H2,1-2H3
InChIKeyKYDNNAUPCCCRDW-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.64
Rot. Bonds3

About 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]ethanone

1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]ethanone (PubChem CID 22400323) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]ethanone
PubChem CID22400323
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(F)c(CC2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C15H20FNO2/c1-11(18)17-7-5-12(6-8-17)9-13-10-14(19-2)3-4-15(13)16/h3-4,10,12H,5-9H2,1-2H3
InChIKeyKYDNNAUPCCCRDW-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]ethanone (CID 22400323) is 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]ethanone is COc1ccc(F)c(CC2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is KYDNNAUPCCCRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11(18)17-7-5-12(6-8-17)9-13-10-14(19-2)3-4-15(13)16/h3-4,10,12H,5-9H2,1-2H3.
What are the key properties of 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]ethanone?
1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 265.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 22400323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).