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

C36H63N3O6 — CID 129060414

IUPAC4-[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
SMILESCC(C)C1CC(Oc2cc(OC3CC(C(C)C)N(O)C(C)(C)C3)cc(OC3CC(C(C)C)N(O)C(C)(C)C3)c2)CC(C)(C)N1O
InChIInChI=1S/C36H63N3O6/c1-22(2)31-16-28(19-34(7,8)37(31)40)43-25-13-26(44-29-17-32(23(3)4)38(41)35(9,10)20-29)15-27(14-25)45-30-18-33(24(5)6)39(42)36(11,12)21-30/h13-15,22-24,28-33,40-42H,16-21H2,1-12H3
InChIKeyGTBSTXRQXFUUIZ-UHFFFAOYSA-N
MW633.92 g/mol
LogP7.79
Rot. Bonds9

About 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

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 (PubChem CID 129060414) has the molecular formula C36H63N3O6 and a molecular weight of 633.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID129060414
Molecular FormulaC36H63N3O6
Molecular Weight633.92 g/mol
Exact Mass633.47
IUPAC Name4-[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
SMILESCC(C)C1CC(Oc2cc(OC3CC(C(C)C)N(O)C(C)(C)C3)cc(OC3CC(C(C)C)N(O)C(C)(C)C3)c2)CC(C)(C)N1O
InChIInChI=1S/C36H63N3O6/c1-22(2)31-16-28(19-34(7,8)37(31)40)43-25-13-26(44-29-17-32(23(3)4)38(41)35(9,10)20-29)15-27(14-25)45-30-18-33(24(5)6)39(42)36(11,12)21-30/h13-15,22-24,28-33,40-42H,16-21H2,1-12H3
InChIKeyGTBSTXRQXFUUIZ-UHFFFAOYSA-N
XLogP7.79
TPSA98.10 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.92
LogP ≤ 57.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

[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-(2-Cyclohexylethoxy)phenoxy]-1-hydroxypiperidine
CID 117811484
4-[4-(2,2-Dimethyl-6-propan-2-yl-1-propoxypiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-yl-1-propoxypiperidine
CID 121244629
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
4-[3,5-Bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]-2,6-di(propan-2-yl)piperidine
CID 121244698
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
1-Hydroxy-4-[4-[1-methyl-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine
CID 121248217
1-Hydroxy-4-[4-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine
CID 129060287
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C1CC(Oc2cc(OC3CC(C(C)C)N(O)C(C)(C)C3)cc(OC3CC(C(C)C)N(O)C(C)(C)C3)c2)CC(C)(C)N1O.
What is the InChIKey of 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?
The InChIKey is GTBSTXRQXFUUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H63N3O6/c1-22(2)31-16-28(19-34(7,8)37(31)40)43-25-13-26(44-29-17-32(23(3)4)38(41)35(9,10)20-29)15-27(14-25)45-30-18-33(24(5)6)39(42)36(11,12)21-30/h13-15,22-24,28-33,40-42H,16-21H2,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 633.92 g/mol, XLogP of 7.79, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129060414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).