2,2,6-trimethyl-6-propan-2-yl-4-[3,6,8-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]naphthalen-1-yl]oxypiperidine

C54H92N4O4 — CID 121244762

IUPAC2,2,6-trimethyl-6-propan-2-yl-4-[3,6,8-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]naphthalen-1-yl]oxypiperidine
SMILESCC(C)C1(C)CC(Oc2cc(OC3CC(C)(C)NC(C)(C(C)C)C3)c3c(OC4CC(C)(C)NC(C)(C(C)C)C4)cc(OC4CC(C)(C)NC(C)(C(C)C)C4)cc3c2)CC(C)(C)N1
InChIInChI=1S/C54H92N4O4/c1-33(2)51(17)29-40(25-47(9,10)55-51)59-38-21-37-22-39(60-41-26-48(11,12)56-52(18,30-41)34(3)4)24-45(62-43-28-50(15,16)58-54(20,32-43)36(7)8)46(37)44(23-38)61-42-27-49(13,14)57-53(19,31-42)35(5)6/h21-24,33-36,40-43,55-58H,25-32H2,1-20H3
InChIKeySYOSXIHOYNGNGY-UHFFFAOYSA-N
MW861.35 g/mol
LogP12.14
Rot. Bonds12

About 2,2,6-trimethyl-6-propan-2-yl-4-[3,6,8-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]naphthalen-1-yl]oxypiperidine

2,2,6-trimethyl-6-propan-2-yl-4-[3,6,8-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]naphthalen-1-yl]oxypiperidine (PubChem CID 121244762) has the molecular formula C54H92N4O4 and a molecular weight of 861.35 g/mol. Its IUPAC name is 2,2,6-trimethyl-6-propan-2-yl-4-[3,6,8-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]naphthalen-1-yl]oxypiperidine.

Molecular Properties

Compound Name2,2,6-trimethyl-6-propan-2-yl-4-[3,6,8-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]naphthalen-1-yl]oxypiperidine
PubChem CID121244762
Molecular FormulaC54H92N4O4
Molecular Weight861.35 g/mol
Exact Mass860.71
IUPAC Name2,2,6-trimethyl-6-propan-2-yl-4-[3,6,8-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]naphthalen-1-yl]oxypiperidine
SMILESCC(C)C1(C)CC(Oc2cc(OC3CC(C)(C)NC(C)(C(C)C)C3)c3c(OC4CC(C)(C)NC(C)(C(C)C)C4)cc(OC4CC(C)(C)NC(C)(C(C)C)C4)cc3c2)CC(C)(C)N1
InChIInChI=1S/C54H92N4O4/c1-33(2)51(17)29-40(25-47(9,10)55-51)59-38-21-37-22-39(60-41-26-48(11,12)56-52(18,30-41)34(3)4)24-45(62-43-28-50(15,16)58-54(20,32-43)36(7)8)46(37)44(23-38)61-42-27-49(13,14)57-53(19,31-42)35(5)6/h21-24,33-36,40-43,55-58H,25-32H2,1-20H3
InChIKeySYOSXIHOYNGNGY-UHFFFAOYSA-N
XLogP12.14
TPSA85.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.35
LogP ≤ 512.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-6-propan-2-yl-4-[3,6,8-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]naphthalen-1-yl]oxypiperidine?
The IUPAC name of 2,2,6-trimethyl-6-propan-2-yl-4-[3,6,8-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]naphthalen-1-yl]oxypiperidine (CID 121244762) is 2,2,6-trimethyl-6-propan-2-yl-4-[3,6,8-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]naphthalen-1-yl]oxypiperidine.
What is the SMILES notation for 2,2,6-trimethyl-6-propan-2-yl-4-[3,6,8-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]naphthalen-1-yl]oxypiperidine?
The canonical SMILES for 2,2,6-trimethyl-6-propan-2-yl-4-[3,6,8-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]naphthalen-1-yl]oxypiperidine is CC(C)C1(C)CC(Oc2cc(OC3CC(C)(C)NC(C)(C(C)C)C3)c3c(OC4CC(C)(C)NC(C)(C(C)C)C4)cc(OC4CC(C)(C)NC(C)(C(C)C)C4)cc3c2)CC(C)(C)N1.
What is the InChIKey of 2,2,6-trimethyl-6-propan-2-yl-4-[3,6,8-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]naphthalen-1-yl]oxypiperidine?
The InChIKey is SYOSXIHOYNGNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H92N4O4/c1-33(2)51(17)29-40(25-47(9,10)55-51)59-38-21-37-22-39(60-41-26-48(11,12)56-52(18,30-41)34(3)4)24-45(62-43-28-50(15,16)58-54(20,32-43)36(7)8)46(37)44(23-38)61-42-27-49(13,14)57-53(19,31-42)35(5)6/h21-24,33-36,40-43,55-58H,25-32H2,1-20H3.
What are the key properties of 2,2,6-trimethyl-6-propan-2-yl-4-[3,6,8-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]naphthalen-1-yl]oxypiperidine?
2,2,6-trimethyl-6-propan-2-yl-4-[3,6,8-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]naphthalen-1-yl]oxypiperidine has a molecular weight of 861.35 g/mol, XLogP of 12.14, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-6-propan-2-yl-4-[3,6,8-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]naphthalen-1-yl]oxypiperidine is sourced from PubChem (CID 121244762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).