4-[2-fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine

C51H90FN5O5 — CID 139317699

IUPAC4-[2-fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(Oc2c(F)c(OC3CC(C)(C)NC(C)(C)C3)c(OC3CC(C)(C)NC(C)(C)C3)c(OC3CC(C)(C)NC(C)(C)C3)c2OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C51H90FN5O5/c1-42(2)21-31(22-43(3,4)53-42)58-37-36(52)38(59-32-23-44(5,6)54-45(7,8)24-32)40(61-34-27-48(13,14)56-49(15,16)28-34)41(62-35-29-50(17,18)57-51(19,20)30-35)39(37)60-33-25-46(9,10)55-47(11,12)26-33/h31-35,53-57H,21-30H2,1-20H3
InChIKeyKJCRSBTUKCHPOQ-UHFFFAOYSA-N
MW872.31 g/mol
LogP10.27
Rot. Bonds10

About 4-[2-fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine

4-[2-fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 139317699) has the molecular formula C51H90FN5O5 and a molecular weight of 872.31 g/mol. Its IUPAC name is 4-[2-fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[2-fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID139317699
Molecular FormulaC51H90FN5O5
Molecular Weight872.31 g/mol
Exact Mass871.69
IUPAC Name4-[2-fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(Oc2c(F)c(OC3CC(C)(C)NC(C)(C)C3)c(OC3CC(C)(C)NC(C)(C)C3)c(OC3CC(C)(C)NC(C)(C)C3)c2OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C51H90FN5O5/c1-42(2)21-31(22-43(3,4)53-42)58-37-36(52)38(59-32-23-44(5,6)54-45(7,8)24-32)40(61-34-27-48(13,14)56-49(15,16)28-34)41(62-35-29-50(17,18)57-51(19,20)30-35)39(37)60-33-25-46(9,10)55-47(11,12)26-33/h31-35,53-57H,21-30H2,1-20H3
InChIKeyKJCRSBTUKCHPOQ-UHFFFAOYSA-N
XLogP10.27
TPSA106.30 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.31
LogP ≤ 510.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[2-fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine (CID 139317699) is 4-[2-fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[2-fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[2-fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine is CC1(C)CC(Oc2c(F)c(OC3CC(C)(C)NC(C)(C)C3)c(OC3CC(C)(C)NC(C)(C)C3)c(OC3CC(C)(C)NC(C)(C)C3)c2OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 4-[2-fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is KJCRSBTUKCHPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H90FN5O5/c1-42(2)21-31(22-43(3,4)53-42)58-37-36(52)38(59-32-23-44(5,6)54-45(7,8)24-32)40(61-34-27-48(13,14)56-49(15,16)28-34)41(62-35-29-50(17,18)57-51(19,20)30-35)39(37)60-33-25-46(9,10)55-47(11,12)26-33/h31-35,53-57H,21-30H2,1-20H3.
What are the key properties of 4-[2-fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine?
4-[2-fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 872.31 g/mol, XLogP of 10.27, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-3,4,5,6-tetrakis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 139317699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).