4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine

C13H16F3NO — CID 177193342

IUPAC4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine
SMILESCOc1cc(F)c(C)cc1N1CCC(F)(F)CC1
InChIInChI=1S/C13H16F3NO/c1-9-7-11(12(18-2)8-10(9)14)17-5-3-13(15,16)4-6-17/h7-8H,3-6H2,1-2H3
InChIKeyCYUUWVFFWUIHGY-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.38
Rot. Bonds2

About 4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine

4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine (PubChem CID 177193342) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine
PubChem CID177193342
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine
SMILESCOc1cc(F)c(C)cc1N1CCC(F)(F)CC1
InChIInChI=1S/C13H16F3NO/c1-9-7-11(12(18-2)8-10(9)14)17-5-3-13(15,16)4-6-17/h7-8H,3-6H2,1-2H3
InChIKeyCYUUWVFFWUIHGY-UHFFFAOYSA-N
XLogP3.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 121456105
4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine
CID 177192241
1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine
CID 177192883
1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine
CID 117007621
2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline
CID 103590369
4-(4,4-difluoropiperidin-1-yl)-2-methoxyaniline
CID 57416121
1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol
CID 81097828
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251
3-(4,4-difluoropiperidin-1-yl)-2-methoxyaniline
CID 166176382
1-(4-chloro-2-methoxy-5-methylphenyl)piperidin-4-one
CID 24692834
1-butan-2-yl-4-fluoro-2-methoxy-5-methylbenzene;ethane
CID 145090186
4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine?
The IUPAC name of 4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine (CID 177193342) is 4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine is COc1cc(F)c(C)cc1N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine?
The InChIKey is CYUUWVFFWUIHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-9-7-11(12(18-2)8-10(9)14)17-5-3-13(15,16)4-6-17/h7-8H,3-6H2,1-2H3.
What are the key properties of 4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine?
4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine has a molecular weight of 259.27 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine is sourced from PubChem (CID 177193342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).