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

C40H71N3O5 — CID 121247840

IUPAC1-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
SMILESCC(C)C1(C)CC(Oc2ccc(OC3CC(C)(C)N(O)C(C)(C(C)C)C3)cc2OC2CC(C)(C)N(O)C(C)(C(C)C)C2)CC(C)(C)N1C
InChIInChI=1S/C40H71N3O5/c1-26(2)38(13)23-31(20-35(7,8)41(38)16)47-33-18-17-29(46-30-21-36(9,10)42(44)39(14,24-30)27(3)4)19-34(33)48-32-22-37(11,12)43(45)40(15,25-32)28(5)6/h17-19,26-28,30-32,44-45H,20-25H2,1-16H3
InChIKeyZTEGDSWUEPDKIV-UHFFFAOYSA-N
MW674.02 g/mol
LogP9.20
Rot. Bonds9

About 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

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 (PubChem CID 121247840) has the molecular formula C40H71N3O5 and a molecular weight of 674.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID121247840
Molecular FormulaC40H71N3O5
Molecular Weight674.02 g/mol
Exact Mass673.54
IUPAC Name1-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
SMILESCC(C)C1(C)CC(Oc2ccc(OC3CC(C)(C)N(O)C(C)(C(C)C)C3)cc2OC2CC(C)(C)N(O)C(C)(C(C)C)C2)CC(C)(C)N1C
InChIInChI=1S/C40H71N3O5/c1-26(2)38(13)23-31(20-35(7,8)41(38)16)47-33-18-17-29(46-30-21-36(9,10)42(44)39(14,24-30)27(3)4)19-34(33)48-32-22-37(11,12)43(45)40(15,25-32)28(5)6/h17-19,26-28,30-32,44-45H,20-25H2,1-16H3
InChIKeyZTEGDSWUEPDKIV-UHFFFAOYSA-N
XLogP9.20
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.02
LogP ≤ 59.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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CID 56897602
1-Hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-1-nonyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine
CID 121244631
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-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-[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
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
4-[2-(1-Hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane
CID 129212726
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C1(C)CC(Oc2ccc(OC3CC(C)(C)N(O)C(C)(C(C)C)C3)cc2OC2CC(C)(C)N(O)C(C)(C(C)C)C2)CC(C)(C)N1C.
What is the InChIKey of 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?
The InChIKey is ZTEGDSWUEPDKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H71N3O5/c1-26(2)38(13)23-31(20-35(7,8)41(38)16)47-33-18-17-29(46-30-21-36(9,10)42(44)39(14,24-30)27(3)4)19-34(33)48-32-22-37(11,12)43(45)40(15,25-32)28(5)6/h17-19,26-28,30-32,44-45H,20-25H2,1-16H3.
What are the key properties of 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?
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 has a molecular weight of 674.02 g/mol, XLogP of 9.20, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121247840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).