6-[2-[[3-fluoro-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C36H47FN2O3 — CID 23087199

IUPAC6-[2-[[3-fluoro-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1ccc(C2CCc3cc(O)ccc3C2)c(N(C)Cc2ccc(OCCN3C(C)(C)CCCC3(C)C)c(F)c2)c1
InChIInChI=1S/C36H47FN2O3/c1-35(2)16-7-17-36(3,4)39(35)18-19-42-34-15-8-25(20-32(34)37)24-38(5)33-23-30(41-6)13-14-31(33)28-10-9-27-22-29(40)12-11-26(27)21-28/h8,11-15,20,22-23,28,40H,7,9-10,16-19,21,24H2,1-6H3
InChIKeyDXMWTVJDVFOLKP-UHFFFAOYSA-N
MW574.78 g/mol
LogP7.87
Rot. Bonds9

About 6-[2-[[3-fluoro-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

6-[2-[[3-fluoro-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 23087199) has the molecular formula C36H47FN2O3 and a molecular weight of 574.78 g/mol. Its IUPAC name is 6-[2-[[3-fluoro-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-[2-[[3-fluoro-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID23087199
Molecular FormulaC36H47FN2O3
Molecular Weight574.78 g/mol
Exact Mass574.36
IUPAC Name6-[2-[[3-fluoro-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1ccc(C2CCc3cc(O)ccc3C2)c(N(C)Cc2ccc(OCCN3C(C)(C)CCCC3(C)C)c(F)c2)c1
InChIInChI=1S/C36H47FN2O3/c1-35(2)16-7-17-36(3,4)39(35)18-19-42-34-15-8-25(20-32(34)37)24-38(5)33-23-30(41-6)13-14-31(33)28-10-9-27-22-29(40)12-11-26(27)21-28/h8,11-15,20,22-23,28,40H,7,9-10,16-19,21,24H2,1-6H3
InChIKeyDXMWTVJDVFOLKP-UHFFFAOYSA-N
XLogP7.87
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.78
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-[[3-fluoro-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[3-fluoro-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-[2-[[3-fluoro-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 23087199) is 6-[2-[[3-fluoro-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-[2-[[3-fluoro-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-[2-[[3-fluoro-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is COc1ccc(C2CCc3cc(O)ccc3C2)c(N(C)Cc2ccc(OCCN3C(C)(C)CCCC3(C)C)c(F)c2)c1.
What is the InChIKey of 6-[2-[[3-fluoro-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is DXMWTVJDVFOLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H47FN2O3/c1-35(2)16-7-17-36(3,4)39(35)18-19-42-34-15-8-25(20-32(34)37)24-38(5)33-23-30(41-6)13-14-31(33)28-10-9-27-22-29(40)12-11-26(27)21-28/h8,11-15,20,22-23,28,40H,7,9-10,16-19,21,24H2,1-6H3.
What are the key properties of 6-[2-[[3-fluoro-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
6-[2-[[3-fluoro-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 574.78 g/mol, XLogP of 7.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[3-fluoro-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 23087199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).