4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine

C25H33F2NO — CID 134486558

IUPAC4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine
SMILESCCN1C(C)(C)CC(c2ccc(OC(F)(F)c3ccc(C)cc3)cc2)CC1(C)C
InChIInChI=1S/C25H33F2NO/c1-7-28-23(3,4)16-20(17-24(28,5)6)19-10-14-22(15-11-19)29-25(26,27)21-12-8-18(2)9-13-21/h8-15,20H,7,16-17H2,1-6H3
InChIKeyZSMXIVWIDNXZEV-UHFFFAOYSA-N
MW401.54 g/mol
LogP6.88
Rot. Bonds5

About 4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine

4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine (PubChem CID 134486558) has the molecular formula C25H33F2NO and a molecular weight of 401.54 g/mol. Its IUPAC name is 4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine
PubChem CID134486558
Molecular FormulaC25H33F2NO
Molecular Weight401.54 g/mol
Exact Mass401.25
IUPAC Name4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine
SMILESCCN1C(C)(C)CC(c2ccc(OC(F)(F)c3ccc(C)cc3)cc2)CC1(C)C
InChIInChI=1S/C25H33F2NO/c1-7-28-23(3,4)16-20(17-24(28,5)6)19-10-14-22(15-11-19)29-25(26,27)21-12-8-18(2)9-13-21/h8-15,20H,7,16-17H2,1-6H3
InChIKeyZSMXIVWIDNXZEV-UHFFFAOYSA-N
XLogP6.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal
CID 162547849
[4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane
CID 123161853
1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane
CID 123154115
4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]benzonitrile
CID 67595253
1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
CID 19064157
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
CID 153454405
2-[4-[4-[difluoro-(4-propylphenyl)methoxy]phenyl]cyclohexyl]-1,3-dioxane
CID 22011589
1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene
CID 59940202
1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene
CID 70178197
1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene
CID 22011585
5-[[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 118136060
4-[[4-(4-but-2-enylcyclohexyl)phenyl]-difluoromethoxy]benzonitrile
CID 70177123

Frequently Asked Questions

What is the IUPAC name of 4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine (CID 134486558) is 4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine is CCN1C(C)(C)CC(c2ccc(OC(F)(F)c3ccc(C)cc3)cc2)CC1(C)C.
What is the InChIKey of 4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine?
The InChIKey is ZSMXIVWIDNXZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F2NO/c1-7-28-23(3,4)16-20(17-24(28,5)6)19-10-14-22(15-11-19)29-25(26,27)21-12-8-18(2)9-13-21/h8-15,20H,7,16-17H2,1-6H3.
What are the key properties of 4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine?
4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine has a molecular weight of 401.54 g/mol, XLogP of 6.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 134486558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).