5-(5-fluoro-2-methoxyphenyl)piperidin-2-one

C12H14FNO2 — CID 82127994

IUPAC5-(5-fluoro-2-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(F)cc1C1CCC(=O)NC1
InChIInChI=1S/C12H14FNO2/c1-16-11-4-3-9(13)6-10(11)8-2-5-12(15)14-7-8/h3-4,6,8H,2,5,7H2,1H3,(H,14,15)
InChIKeyXTJHSJQJZLKUQX-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.83
Rot. Bonds2

About 5-(5-fluoro-2-methoxyphenyl)piperidin-2-one

5-(5-fluoro-2-methoxyphenyl)piperidin-2-one (PubChem CID 82127994) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyphenyl)piperidin-2-one
PubChem CID82127994
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name5-(5-fluoro-2-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(F)cc1C1CCC(=O)NC1
InChIInChI=1S/C12H14FNO2/c1-16-11-4-3-9(13)6-10(11)8-2-5-12(15)14-7-8/h3-4,6,8H,2,5,7H2,1H3,(H,14,15)
InChIKeyXTJHSJQJZLKUQX-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione
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2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one
CID 83834380
(4R)-4-(2-methoxyphenyl)pyrrolidin-2-one
CID 15895393
5-(4-methoxy-3-phenylphenyl)piperidin-2-one
CID 67536605
(5S)-5-(4-methoxy-3-phenylphenyl)piperidin-2-one
CID 67536603
2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-one
CID 82781917
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82160176
4-(3-cyclopent-2-en-1-yl-4-methoxyphenyl)pyrrolidin-2-one
CID 19988978
4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
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CID 66350975

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxyphenyl)piperidin-2-one?
The IUPAC name of 5-(5-fluoro-2-methoxyphenyl)piperidin-2-one (CID 82127994) is 5-(5-fluoro-2-methoxyphenyl)piperidin-2-one.
What is the SMILES notation for 5-(5-fluoro-2-methoxyphenyl)piperidin-2-one?
The canonical SMILES for 5-(5-fluoro-2-methoxyphenyl)piperidin-2-one is COc1ccc(F)cc1C1CCC(=O)NC1.
What is the InChIKey of 5-(5-fluoro-2-methoxyphenyl)piperidin-2-one?
The InChIKey is XTJHSJQJZLKUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-16-11-4-3-9(13)6-10(11)8-2-5-12(15)14-7-8/h3-4,6,8H,2,5,7H2,1H3,(H,14,15).
What are the key properties of 5-(5-fluoro-2-methoxyphenyl)piperidin-2-one?
5-(5-fluoro-2-methoxyphenyl)piperidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxyphenyl)piperidin-2-one is sourced from PubChem (CID 82127994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).