4-[4-(4-butyl-2-fluorophenyl)-3-fluorophenyl]-2,2,6,6-tetramethylpiperidine

C25H33F2N — CID 134486671

IUPAC4-[4-(4-butyl-2-fluorophenyl)-3-fluorophenyl]-2,2,6,6-tetramethylpiperidine
SMILESCCCCc1ccc(-c2ccc(C3CC(C)(C)NC(C)(C)C3)cc2F)c(F)c1
InChIInChI=1S/C25H33F2N/c1-6-7-8-17-9-11-20(22(26)13-17)21-12-10-18(14-23(21)27)19-15-24(2,3)28-25(4,5)16-19/h9-14,19,28H,6-8,15-16H2,1-5H3
InChIKeyVIVOHGNWJUSNRK-UHFFFAOYSA-N
MW385.54 g/mol
LogP7.00
Rot. Bonds5

About 4-[4-(4-butyl-2-fluorophenyl)-3-fluorophenyl]-2,2,6,6-tetramethylpiperidine

4-[4-(4-butyl-2-fluorophenyl)-3-fluorophenyl]-2,2,6,6-tetramethylpiperidine (PubChem CID 134486671) has the molecular formula C25H33F2N and a molecular weight of 385.54 g/mol. Its IUPAC name is 4-[4-(4-butyl-2-fluorophenyl)-3-fluorophenyl]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[4-(4-butyl-2-fluorophenyl)-3-fluorophenyl]-2,2,6,6-tetramethylpiperidine
PubChem CID134486671
Molecular FormulaC25H33F2N
Molecular Weight385.54 g/mol
Exact Mass385.26
IUPAC Name4-[4-(4-butyl-2-fluorophenyl)-3-fluorophenyl]-2,2,6,6-tetramethylpiperidine
SMILESCCCCc1ccc(-c2ccc(C3CC(C)(C)NC(C)(C)C3)cc2F)c(F)c1
InChIInChI=1S/C25H33F2N/c1-6-7-8-17-9-11-20(22(26)13-17)21-12-10-18(14-23(21)27)19-15-24(2,3)28-25(4,5)16-19/h9-14,19,28H,6-8,15-16H2,1-5H3
InChIKeyVIVOHGNWJUSNRK-UHFFFAOYSA-N
XLogP7.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.54
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane
CID 54731965
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2-[2-[4-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3-ethylphenyl]ethyl]propane-1,3-diol
CID 90245102
5-[4-[2-[4-(4-butylphenyl)cyclohexyl]ethyl]-2-fluorophenyl]-2-chloro-1,3-difluorobenzene
CID 54435292
5-butyl-1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]methoxy]benzene
CID 130191421
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine
CID 134179374
2,3-difluoro-1-(2-fluoro-4-nonylphenyl)-4-(4-nonylphenyl)benzene
CID 10768709
2-fluoro-4-pentylaniline
CID 146198864
4-butyl-1-chloro-2-fluorobenzene
CID 20755408
1,3,4-trifluoro-5-(2-fluoro-4-octylphenyl)-2-methylbenzene
CID 54257205
2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine
CID 19859815

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-butyl-2-fluorophenyl)-3-fluorophenyl]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[4-(4-butyl-2-fluorophenyl)-3-fluorophenyl]-2,2,6,6-tetramethylpiperidine (CID 134486671) is 4-[4-(4-butyl-2-fluorophenyl)-3-fluorophenyl]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[4-(4-butyl-2-fluorophenyl)-3-fluorophenyl]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[4-(4-butyl-2-fluorophenyl)-3-fluorophenyl]-2,2,6,6-tetramethylpiperidine is CCCCc1ccc(-c2ccc(C3CC(C)(C)NC(C)(C)C3)cc2F)c(F)c1.
What is the InChIKey of 4-[4-(4-butyl-2-fluorophenyl)-3-fluorophenyl]-2,2,6,6-tetramethylpiperidine?
The InChIKey is VIVOHGNWJUSNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F2N/c1-6-7-8-17-9-11-20(22(26)13-17)21-12-10-18(14-23(21)27)19-15-24(2,3)28-25(4,5)16-19/h9-14,19,28H,6-8,15-16H2,1-5H3.
What are the key properties of 4-[4-(4-butyl-2-fluorophenyl)-3-fluorophenyl]-2,2,6,6-tetramethylpiperidine?
4-[4-(4-butyl-2-fluorophenyl)-3-fluorophenyl]-2,2,6,6-tetramethylpiperidine has a molecular weight of 385.54 g/mol, XLogP of 7.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-butyl-2-fluorophenyl)-3-fluorophenyl]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 134486671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).