2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine

C40H56N2O2 — CID 154573678

IUPAC2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine
SMILESCC(ON1C(C)(C)CCCC1(C)C)c1ccc(-c2ccc(-c3ccc(C(C)ON4C(C)(C)CCCC4(C)C)cc3)cc2)cc1
InChIInChI=1S/C40H56N2O2/c1-29(43-41-37(3,4)25-11-26-38(41,5)6)31-13-17-33(18-14-31)35-21-23-36(24-22-35)34-19-15-32(16-20-34)30(2)44-42-39(7,8)27-12-28-40(42,9)10/h13-24,29-30H,11-12,25-28H2,1-10H3
InChIKeyQHMSDIYSZBIKPC-UHFFFAOYSA-N
MW596.90 g/mol
LogP11.09
Rot. Bonds8

About 2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine

2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine (PubChem CID 154573678) has the molecular formula C40H56N2O2 and a molecular weight of 596.90 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine
PubChem CID154573678
Molecular FormulaC40H56N2O2
Molecular Weight596.90 g/mol
Exact Mass596.43
IUPAC Name2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine
SMILESCC(ON1C(C)(C)CCCC1(C)C)c1ccc(-c2ccc(-c3ccc(C(C)ON4C(C)(C)CCCC4(C)C)cc3)cc2)cc1
InChIInChI=1S/C40H56N2O2/c1-29(43-41-37(3,4)25-11-26-38(41,5)6)31-13-17-33(18-14-31)35-21-23-36(24-22-35)34-19-15-32(16-20-34)30(2)44-42-39(7,8)27-12-28-40(42,9)10/h13-24,29-30H,11-12,25-28H2,1-10H3
InChIKeyQHMSDIYSZBIKPC-UHFFFAOYSA-N
XLogP11.09
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.90
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine (CID 154573678) is 2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine is CC(ON1C(C)(C)CCCC1(C)C)c1ccc(-c2ccc(-c3ccc(C(C)ON4C(C)(C)CCCC4(C)C)cc3)cc2)cc1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine?
The InChIKey is QHMSDIYSZBIKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H56N2O2/c1-29(43-41-37(3,4)25-11-26-38(41,5)6)31-13-17-33(18-14-31)35-21-23-36(24-22-35)34-19-15-32(16-20-34)30(2)44-42-39(7,8)27-12-28-40(42,9)10/h13-24,29-30H,11-12,25-28H2,1-10H3.
What are the key properties of 2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine?
2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine has a molecular weight of 596.90 g/mol, XLogP of 11.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine is sourced from PubChem (CID 154573678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).