4-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]-2-fluorophenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine

C26H35F2NO2 — CID 134486575

IUPAC4-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]-2-fluorophenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine
SMILESCCOc1ccc(CCc2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)c(F)c2)c(F)c1
InChIInChI=1S/C26H35F2NO2/c1-7-31-21-12-11-19(23(27)15-21)10-8-18-9-13-22(24(28)14-18)20-16-25(2,3)29(30-6)26(4,5)17-20/h9,11-15,20H,7-8,10,16-17H2,1-6H3
InChIKeyYAWJEDUPZMNTSC-UHFFFAOYSA-N
MW431.57 g/mol
LogP6.45
Rot. Bonds7

About 4-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]-2-fluorophenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine

4-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]-2-fluorophenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine (PubChem CID 134486575) has the molecular formula C26H35F2NO2 and a molecular weight of 431.57 g/mol. Its IUPAC name is 4-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]-2-fluorophenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]-2-fluorophenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine
PubChem CID134486575
Molecular FormulaC26H35F2NO2
Molecular Weight431.57 g/mol
Exact Mass431.26
IUPAC Name4-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]-2-fluorophenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine
SMILESCCOc1ccc(CCc2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)c(F)c2)c(F)c1
InChIInChI=1S/C26H35F2NO2/c1-7-31-21-12-11-19(23(27)15-21)10-8-18-9-13-22(24(28)14-18)20-16-25(2,3)29(30-6)26(4,5)17-20/h9,11-15,20H,7-8,10,16-17H2,1-6H3
InChIKeyYAWJEDUPZMNTSC-UHFFFAOYSA-N
XLogP6.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.57
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]-2-fluorophenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]-2-fluorophenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine (CID 134486575) is 4-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]-2-fluorophenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]-2-fluorophenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]-2-fluorophenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine is CCOc1ccc(CCc2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)c(F)c2)c(F)c1.
What is the InChIKey of 4-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]-2-fluorophenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is YAWJEDUPZMNTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F2NO2/c1-7-31-21-12-11-19(23(27)15-21)10-8-18-9-13-22(24(28)14-18)20-16-25(2,3)29(30-6)26(4,5)17-20/h9,11-15,20H,7-8,10,16-17H2,1-6H3.
What are the key properties of 4-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]-2-fluorophenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine?
4-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]-2-fluorophenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 431.57 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]-2-fluorophenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 134486575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).