4-[2-fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine

C42H73FN4O4 — CID 139317414

IUPAC4-[2-fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(Oc2cc(OC3CC(C)(C)NC(C)(C)C3)c(OC3CC(C)(C)NC(C)(C)C3)c(F)c2OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C42H73FN4O4/c1-35(2)18-26(19-36(3,4)44-35)48-30-17-31(49-27-20-37(5,6)45-38(7,8)21-27)34(51-29-24-41(13,14)47-42(15,16)25-29)32(43)33(30)50-28-22-39(9,10)46-40(11,12)23-28/h17,26-29,44-47H,18-25H2,1-16H3
InChIKeyXWNWBFCDHZAMTE-UHFFFAOYSA-N
MW717.07 g/mol
LogP8.58
Rot. Bonds8

About 4-[2-fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine

4-[2-fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 139317414) has the molecular formula C42H73FN4O4 and a molecular weight of 717.07 g/mol. Its IUPAC name is 4-[2-fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[2-fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID139317414
Molecular FormulaC42H73FN4O4
Molecular Weight717.07 g/mol
Exact Mass716.56
IUPAC Name4-[2-fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(Oc2cc(OC3CC(C)(C)NC(C)(C)C3)c(OC3CC(C)(C)NC(C)(C)C3)c(F)c2OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C42H73FN4O4/c1-35(2)18-26(19-36(3,4)44-35)48-30-17-31(49-27-20-37(5,6)45-38(7,8)21-27)34(51-29-24-41(13,14)47-42(15,16)25-29)32(43)33(30)50-28-22-39(9,10)46-40(11,12)23-28/h17,26-29,44-47H,18-25H2,1-16H3
InChIKeyXWNWBFCDHZAMTE-UHFFFAOYSA-N
XLogP8.58
TPSA85.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.07
LogP ≤ 58.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[2-fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine with MolForge

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Related Compounds

[5-Fluoro-2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]phenyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 139317062
4-[2,5-Difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine
CID 139317266
4-[2-Fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine
CID 139317699
[6-Fluoro-2,3,4-tris[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxy]phenyl] 1-ethyl-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 139317729
Tetrakis-(2,2,6,6-tetramethyl-4-piperidylhydroxy)phenylsilane
CID 129703118
1-Butoxy-2,6-di(propan-2-yl)-4-[2,4,5-tris[[1-butoxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]piperidine
CID 121244730
2,2-Dimethyl-6-propan-2-yl-4-[2,4,5-tris[(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine
CID 121248094
1,2,2,6-Tetramethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine
CID 129060293
1-Hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine
CID 129060294
4-[2,5-Bis[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]-1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidine
CID 129060363
1-Ethyl-2,2,6,6-tetramethyl-4-[2,4,5-tris[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine
CID 139317101
1,2,2,6,6-Pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine
CID 139317409

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[2-fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine (CID 139317414) is 4-[2-fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[2-fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[2-fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine is CC1(C)CC(Oc2cc(OC3CC(C)(C)NC(C)(C)C3)c(OC3CC(C)(C)NC(C)(C)C3)c(F)c2OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 4-[2-fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is XWNWBFCDHZAMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H73FN4O4/c1-35(2)18-26(19-36(3,4)44-35)48-30-17-31(49-27-20-37(5,6)45-38(7,8)21-27)34(51-29-24-41(13,14)47-42(15,16)25-29)32(43)33(30)50-28-22-39(9,10)46-40(11,12)23-28/h17,26-29,44-47H,18-25H2,1-16H3.
What are the key properties of 4-[2-fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine?
4-[2-fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 717.07 g/mol, XLogP of 8.58, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 139317414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).