1-(2,5-difluoro-4-methoxyphenyl)piperidin-4-one

C12H13F2NO2 — CID 23111466

IUPAC1-(2,5-difluoro-4-methoxyphenyl)piperidin-4-one
SMILESCOc1cc(F)c(N2CCC(=O)CC2)cc1F
InChIInChI=1S/C12H13F2NO2/c1-17-12-7-9(13)11(6-10(12)14)15-4-2-8(16)3-5-15/h6-7H,2-5H2,1H3
InChIKeyGKYIFKIHXAAKAT-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.14
Rot. Bonds2

About 1-(2,5-difluoro-4-methoxyphenyl)piperidin-4-one

1-(2,5-difluoro-4-methoxyphenyl)piperidin-4-one (PubChem CID 23111466) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methoxyphenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methoxyphenyl)piperidin-4-one
PubChem CID23111466
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name1-(2,5-difluoro-4-methoxyphenyl)piperidin-4-one
SMILESCOc1cc(F)c(N2CCC(=O)CC2)cc1F
InChIInChI=1S/C12H13F2NO2/c1-17-12-7-9(13)11(6-10(12)14)15-4-2-8(16)3-5-15/h6-7H,2-5H2,1H3
InChIKeyGKYIFKIHXAAKAT-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)piperidin-4-one?
The IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)piperidin-4-one (CID 23111466) is 1-(2,5-difluoro-4-methoxyphenyl)piperidin-4-one.
What is the SMILES notation for 1-(2,5-difluoro-4-methoxyphenyl)piperidin-4-one?
The canonical SMILES for 1-(2,5-difluoro-4-methoxyphenyl)piperidin-4-one is COc1cc(F)c(N2CCC(=O)CC2)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methoxyphenyl)piperidin-4-one?
The InChIKey is GKYIFKIHXAAKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-17-12-7-9(13)11(6-10(12)14)15-4-2-8(16)3-5-15/h6-7H,2-5H2,1H3.
What are the key properties of 1-(2,5-difluoro-4-methoxyphenyl)piperidin-4-one?
1-(2,5-difluoro-4-methoxyphenyl)piperidin-4-one has a molecular weight of 241.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methoxyphenyl)piperidin-4-one is sourced from PubChem (CID 23111466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).