1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine

C63H93N3O6 — CID 101371646

IUPAC1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC(ON1C(C)(C)CCCC1(C)C)c1ccc(COCc2cc(COCc3ccc(C(C)ON4C(C)(C)CCCC4(C)C)cc3)cc(COCc3ccc(C(C)ON4C(C)(C)CCCC4(C)C)cc3)c2)cc1
InChIInChI=1S/C63H93N3O6/c1-46(70-64-58(4,5)31-16-32-59(64,6)7)55-25-19-49(20-26-55)40-67-43-52-37-53(44-68-41-50-21-27-56(28-22-50)47(2)71-65-60(8,9)33-17-34-61(65,10)11)39-54(38-52)45-69-42-51-23-29-57(30-24-51)48(3)72-66-62(12,13)35-18-36-63(66,14)15/h19-30,37-39,46-48H,16-18,31-36,40-45H2,1-15H3
InChIKeyJMSZNYACTKRGLW-UHFFFAOYSA-N
MW988.45 g/mol
LogP15.94
Rot. Bonds21

About 1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine

1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 101371646) has the molecular formula C63H93N3O6 and a molecular weight of 988.45 g/mol. Its IUPAC name is 1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID101371646
Molecular FormulaC63H93N3O6
Molecular Weight988.45 g/mol
Exact Mass987.71
IUPAC Name1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC(ON1C(C)(C)CCCC1(C)C)c1ccc(COCc2cc(COCc3ccc(C(C)ON4C(C)(C)CCCC4(C)C)cc3)cc(COCc3ccc(C(C)ON4C(C)(C)CCCC4(C)C)cc3)c2)cc1
InChIInChI=1S/C63H93N3O6/c1-46(70-64-58(4,5)31-16-32-59(64,6)7)55-25-19-49(20-26-55)40-67-43-52-37-53(44-68-41-50-21-27-56(28-22-50)47(2)71-65-60(8,9)33-17-34-61(65,10)11)39-54(38-52)45-69-42-51-23-29-57(30-24-51)48(3)72-66-62(12,13)35-18-36-63(66,14)15/h19-30,37-39,46-48H,16-18,31-36,40-45H2,1-15H3
InChIKeyJMSZNYACTKRGLW-UHFFFAOYSA-N
XLogP15.94
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.45
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine (CID 101371646) is 1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine is CC(ON1C(C)(C)CCCC1(C)C)c1ccc(COCc2cc(COCc3ccc(C(C)ON4C(C)(C)CCCC4(C)C)cc3)cc(COCc3ccc(C(C)ON4C(C)(C)CCCC4(C)C)cc3)c2)cc1.
What is the InChIKey of 1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is JMSZNYACTKRGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H93N3O6/c1-46(70-64-58(4,5)31-16-32-59(64,6)7)55-25-19-49(20-26-55)40-67-43-52-37-53(44-68-41-50-21-27-56(28-22-50)47(2)71-65-60(8,9)33-17-34-61(65,10)11)39-54(38-52)45-69-42-51-23-29-57(30-24-51)48(3)72-66-62(12,13)35-18-36-63(66,14)15/h19-30,37-39,46-48H,16-18,31-36,40-45H2,1-15H3.
What are the key properties of 1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine?
1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 988.45 g/mol, XLogP of 15.94, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 101371646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).