1-ethyl-2,2,6,6-tetramethyl-4-[2,4,5-tris[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine

C50H90N4O4 — CID 139317101

IUPAC1-ethyl-2,2,6,6-tetramethyl-4-[2,4,5-tris[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine
SMILESCCN1C(C)(C)CC(Oc2cc(OC3CC(C)(C)N(CC)C(C)(C)C3)c(OC3CC(C)(C)N(CC)C(C)(C)C3)cc2OC2CC(C)(C)N(CC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C50H90N4O4/c1-21-51-43(5,6)27-35(28-44(51,7)8)55-39-25-41(57-37-31-47(13,14)53(23-3)48(15,16)32-37)42(58-38-33-49(17,18)54(24-4)50(19,20)34-38)26-40(39)56-36-29-45(9,10)52(22-2)46(11,12)30-36/h25-26,35-38H,21-24,27-34H2,1-20H3
InChIKeySWIZCGNHSVWYFI-UHFFFAOYSA-N
MW811.29 g/mol
LogP11.37
Rot. Bonds12

About 1-ethyl-2,2,6,6-tetramethyl-4-[2,4,5-tris[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine

1-ethyl-2,2,6,6-tetramethyl-4-[2,4,5-tris[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine (PubChem CID 139317101) has the molecular formula C50H90N4O4 and a molecular weight of 811.29 g/mol. Its IUPAC name is 1-ethyl-2,2,6,6-tetramethyl-4-[2,4,5-tris[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine.

Molecular Properties

Compound Name1-ethyl-2,2,6,6-tetramethyl-4-[2,4,5-tris[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine
PubChem CID139317101
Molecular FormulaC50H90N4O4
Molecular Weight811.29 g/mol
Exact Mass810.70
IUPAC Name1-ethyl-2,2,6,6-tetramethyl-4-[2,4,5-tris[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine
SMILESCCN1C(C)(C)CC(Oc2cc(OC3CC(C)(C)N(CC)C(C)(C)C3)c(OC3CC(C)(C)N(CC)C(C)(C)C3)cc2OC2CC(C)(C)N(CC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C50H90N4O4/c1-21-51-43(5,6)27-35(28-44(51,7)8)55-39-25-41(57-37-31-47(13,14)53(23-3)48(15,16)32-37)42(58-38-33-49(17,18)54(24-4)50(19,20)34-38)26-40(39)56-36-29-45(9,10)52(22-2)46(11,12)30-36/h25-26,35-38H,21-24,27-34H2,1-20H3
InChIKeySWIZCGNHSVWYFI-UHFFFAOYSA-N
XLogP11.37
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.29
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2,6,6-tetramethyl-4-[2,4,5-tris[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine?
The IUPAC name of 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) is 1-ethyl-2,2,6,6-tetramethyl-4-[2,4,5-tris[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine.
What is the SMILES notation for 1-ethyl-2,2,6,6-tetramethyl-4-[2,4,5-tris[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine?
The canonical SMILES for 1-ethyl-2,2,6,6-tetramethyl-4-[2,4,5-tris[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine is CCN1C(C)(C)CC(Oc2cc(OC3CC(C)(C)N(CC)C(C)(C)C3)c(OC3CC(C)(C)N(CC)C(C)(C)C3)cc2OC2CC(C)(C)N(CC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 1-ethyl-2,2,6,6-tetramethyl-4-[2,4,5-tris[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine?
The InChIKey is SWIZCGNHSVWYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H90N4O4/c1-21-51-43(5,6)27-35(28-44(51,7)8)55-39-25-41(57-37-31-47(13,14)53(23-3)48(15,16)32-37)42(58-38-33-49(17,18)54(24-4)50(19,20)34-38)26-40(39)56-36-29-45(9,10)52(22-2)46(11,12)30-36/h25-26,35-38H,21-24,27-34H2,1-20H3.
What are the key properties of 1-ethyl-2,2,6,6-tetramethyl-4-[2,4,5-tris[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine?
1-ethyl-2,2,6,6-tetramethyl-4-[2,4,5-tris[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine has a molecular weight of 811.29 g/mol, XLogP of 11.37, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2,6,6-tetramethyl-4-[2,4,5-tris[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine is sourced from PubChem (CID 139317101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).