4-(2,6-difluoro-3,5-dimethylphenyl)piperidine

C13H17F2N — CID 84790268

IUPAC4-(2,6-difluoro-3,5-dimethylphenyl)piperidine
SMILESCc1cc(C)c(F)c(C2CCNCC2)c1F
InChIInChI=1S/C13H17F2N/c1-8-7-9(2)13(15)11(12(8)14)10-3-5-16-6-4-10/h7,10,16H,3-6H2,1-2H3
InChIKeyDLPJBODVPXGAQR-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.05
Rot. Bonds1

About 4-(2,6-difluoro-3,5-dimethylphenyl)piperidine

4-(2,6-difluoro-3,5-dimethylphenyl)piperidine (PubChem CID 84790268) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-(2,6-difluoro-3,5-dimethylphenyl)piperidine.

Molecular Properties

Compound Name4-(2,6-difluoro-3,5-dimethylphenyl)piperidine
PubChem CID84790268
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name4-(2,6-difluoro-3,5-dimethylphenyl)piperidine
SMILESCc1cc(C)c(F)c(C2CCNCC2)c1F
InChIInChI=1S/C13H17F2N/c1-8-7-9(2)13(15)11(12(8)14)10-3-5-16-6-4-10/h7,10,16H,3-6H2,1-2H3
InChIKeyDLPJBODVPXGAQR-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine
CID 117116603
3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine
CID 84772859
4-(4-tert-butyl-2,6-difluorophenyl)piperidine
CID 121475944
4-(2,6-difluoro-4-propan-2-ylphenyl)piperidine
CID 130179117
3,5-difluoro-4-piperidin-4-ylphenol
CID 84782646
2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol
CID 117465152
4-fluoro-3-methyl-2-piperidin-4-ylphenol
CID 84676985
2-fluoro-5-methyl-3-piperidin-4-ylphenol
CID 117299013
4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol
CID 84800158
5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol
CID 117366624
2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol
CID 84701640
2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol
CID 84799689

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3,5-dimethylphenyl)piperidine?
The IUPAC name of 4-(2,6-difluoro-3,5-dimethylphenyl)piperidine (CID 84790268) is 4-(2,6-difluoro-3,5-dimethylphenyl)piperidine.
What is the SMILES notation for 4-(2,6-difluoro-3,5-dimethylphenyl)piperidine?
The canonical SMILES for 4-(2,6-difluoro-3,5-dimethylphenyl)piperidine is Cc1cc(C)c(F)c(C2CCNCC2)c1F.
What is the InChIKey of 4-(2,6-difluoro-3,5-dimethylphenyl)piperidine?
The InChIKey is DLPJBODVPXGAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-8-7-9(2)13(15)11(12(8)14)10-3-5-16-6-4-10/h7,10,16H,3-6H2,1-2H3.
What are the key properties of 4-(2,6-difluoro-3,5-dimethylphenyl)piperidine?
4-(2,6-difluoro-3,5-dimethylphenyl)piperidine has a molecular weight of 225.28 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3,5-dimethylphenyl)piperidine is sourced from PubChem (CID 84790268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).