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

C39H69N3O6 — CID 129060363

IUPAC4-[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
SMILESCC(C)C1(C)CC(Oc2ccc(OC3CC(C)(C)N(O)C(C)(C(C)C)C3)c(OC3CC(C)(C)N(O)C(C)(C(C)C)C3)c2)CC(C)(C)N1O
InChIInChI=1S/C39H69N3O6/c1-25(2)37(13)22-29(19-34(7,8)40(37)43)46-28-16-17-32(47-30-20-35(9,10)41(44)38(14,23-30)26(3)4)33(18-28)48-31-21-36(11,12)42(45)39(15,24-31)27(5)6/h16-18,25-27,29-31,43-45H,19-24H2,1-15H3
InChIKeyWSJUXYJYIVVXOZ-UHFFFAOYSA-N
MW676.00 g/mol
LogP8.96
Rot. Bonds9

About 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

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 (PubChem CID 129060363) has the molecular formula C39H69N3O6 and a molecular weight of 676.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID129060363
Molecular FormulaC39H69N3O6
Molecular Weight676.00 g/mol
Exact Mass675.52
IUPAC Name4-[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
SMILESCC(C)C1(C)CC(Oc2ccc(OC3CC(C)(C)N(O)C(C)(C(C)C)C3)c(OC3CC(C)(C)N(O)C(C)(C(C)C)C3)c2)CC(C)(C)N1O
InChIInChI=1S/C39H69N3O6/c1-25(2)37(13)22-29(19-34(7,8)40(37)43)46-28-16-17-32(47-30-20-35(9,10)41(44)38(14,23-30)26(3)4)33(18-28)48-31-21-36(11,12)42(45)39(15,24-31)27(5)6/h16-18,25-27,29-31,43-45H,19-24H2,1-15H3
InChIKeyWSJUXYJYIVVXOZ-UHFFFAOYSA-N
XLogP8.96
TPSA98.10 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.00
LogP ≤ 58.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

4-[2-Fluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine
CID 139317414
Tetrakis-(2,2,6,6-tetramethyl-4-piperidylhydroxy)phenylsilane
CID 129703118
[3,5-Bis[2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoyloxy]phenyl] 2-(2,6-diethyl-4-hydroxy-2,3,6-trimethylpiperidin-1-yl)oxypropanoate
CID 20826117
4-[3,5-Bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine
CID 121244701
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
1-Hydroxy-4-[3-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy-4-(1,2,2,6-tetramethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2,6-trimethyl-6-propan-2-ylpiperidine
CID 121247840
1-Hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine
CID 121247876
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
4-[2,5-Bis[(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy]phenoxy]-1-hydroxy-2,2,7,7-tetramethylazepane
CID 122415023
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-[3,5-Bis[(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]-1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidine
CID 129060414

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C1(C)CC(Oc2ccc(OC3CC(C)(C)N(O)C(C)(C(C)C)C3)c(OC3CC(C)(C)N(O)C(C)(C(C)C)C3)c2)CC(C)(C)N1O.
What is the InChIKey of 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?
The InChIKey is WSJUXYJYIVVXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H69N3O6/c1-25(2)37(13)22-29(19-34(7,8)40(37)43)46-28-16-17-32(47-30-20-35(9,10)41(44)38(14,23-30)26(3)4)33(18-28)48-31-21-36(11,12)42(45)39(15,24-31)27(5)6/h16-18,25-27,29-31,43-45H,19-24H2,1-15H3.
What are the key properties of 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?
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 has a molecular weight of 676.00 g/mol, XLogP of 8.96, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129060363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).