4-[3-[3-[3,5-bis[3-(2,2-dimethylpiperidin-4-yl)oxypropoxy]phenyl]-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]phenoxy]propoxy]-2,2,6,6-tetramethylpiperidine

C56H94N4O8 — CID 135274819

IUPAC4-[3-[3-[3,5-bis[3-(2,2-dimethylpiperidin-4-yl)oxypropoxy]phenyl]-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]phenoxy]propoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(OCCCOc2cc(OCCCOC3CCNC(C)(C)C3)cc(-c3cc(OCCCOC4CC(C)(C)NC(C)(C)C4)cc(OCCCOC4CC(C)(C)NC(C)(C)C4)c3)c2)CCN1
InChIInChI=1S/C56H94N4O8/c1-51(2)35-43(17-19-57-51)61-21-13-23-63-45-29-41(30-46(33-45)64-24-14-22-62-44-18-20-58-52(3,4)36-44)42-31-47(65-25-15-27-67-49-37-53(5,6)59-54(7,8)38-49)34-48(32-42)66-26-16-28-68-50-39-55(9,10)60-56(11,12)40-50/h29-34,43-44,49-50,57-60H,13-28,35-40H2,1-12H3
InChIKeyALTMGXXPHMRVNK-UHFFFAOYSA-N
MW951.39 g/mol
LogP10.18
Rot. Bonds25

About 4-[3-[3-[3,5-bis[3-(2,2-dimethylpiperidin-4-yl)oxypropoxy]phenyl]-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]phenoxy]propoxy]-2,2,6,6-tetramethylpiperidine

4-[3-[3-[3,5-bis[3-(2,2-dimethylpiperidin-4-yl)oxypropoxy]phenyl]-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]phenoxy]propoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 135274819) has the molecular formula C56H94N4O8 and a molecular weight of 951.39 g/mol. Its IUPAC name is 4-[3-[3-[3,5-bis[3-(2,2-dimethylpiperidin-4-yl)oxypropoxy]phenyl]-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]phenoxy]propoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[3-[3-[3,5-bis[3-(2,2-dimethylpiperidin-4-yl)oxypropoxy]phenyl]-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]phenoxy]propoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID135274819
Molecular FormulaC56H94N4O8
Molecular Weight951.39 g/mol
Exact Mass950.71
IUPAC Name4-[3-[3-[3,5-bis[3-(2,2-dimethylpiperidin-4-yl)oxypropoxy]phenyl]-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]phenoxy]propoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(OCCCOc2cc(OCCCOC3CCNC(C)(C)C3)cc(-c3cc(OCCCOC4CC(C)(C)NC(C)(C)C4)cc(OCCCOC4CC(C)(C)NC(C)(C)C4)c3)c2)CCN1
InChIInChI=1S/C56H94N4O8/c1-51(2)35-43(17-19-57-51)61-21-13-23-63-45-29-41(30-46(33-45)64-24-14-22-62-44-18-20-58-52(3,4)36-44)42-31-47(65-25-15-27-67-49-37-53(5,6)59-54(7,8)38-49)34-48(32-42)66-26-16-28-68-50-39-55(9,10)60-56(11,12)40-50/h29-34,43-44,49-50,57-60H,13-28,35-40H2,1-12H3
InChIKeyALTMGXXPHMRVNK-UHFFFAOYSA-N
XLogP10.18
TPSA121.96 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500951.39
LogP ≤ 510.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-[3-[3,5-bis[3-(2,2-dimethylpiperidin-4-yl)oxypropoxy]phenyl]-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]phenoxy]propoxy]-2,2,6,6-tetramethylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[3,5-bis[3-(2,2-dimethylpiperidin-4-yl)oxypropoxy]phenyl]-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]phenoxy]propoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[3-[3-[3,5-bis[3-(2,2-dimethylpiperidin-4-yl)oxypropoxy]phenyl]-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]phenoxy]propoxy]-2,2,6,6-tetramethylpiperidine (CID 135274819) is 4-[3-[3-[3,5-bis[3-(2,2-dimethylpiperidin-4-yl)oxypropoxy]phenyl]-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]phenoxy]propoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[3-[3-[3,5-bis[3-(2,2-dimethylpiperidin-4-yl)oxypropoxy]phenyl]-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]phenoxy]propoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[3-[3-[3,5-bis[3-(2,2-dimethylpiperidin-4-yl)oxypropoxy]phenyl]-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]phenoxy]propoxy]-2,2,6,6-tetramethylpiperidine is CC1(C)CC(OCCCOc2cc(OCCCOC3CCNC(C)(C)C3)cc(-c3cc(OCCCOC4CC(C)(C)NC(C)(C)C4)cc(OCCCOC4CC(C)(C)NC(C)(C)C4)c3)c2)CCN1.
What is the InChIKey of 4-[3-[3-[3,5-bis[3-(2,2-dimethylpiperidin-4-yl)oxypropoxy]phenyl]-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]phenoxy]propoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is ALTMGXXPHMRVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H94N4O8/c1-51(2)35-43(17-19-57-51)61-21-13-23-63-45-29-41(30-46(33-45)64-24-14-22-62-44-18-20-58-52(3,4)36-44)42-31-47(65-25-15-27-67-49-37-53(5,6)59-54(7,8)38-49)34-48(32-42)66-26-16-28-68-50-39-55(9,10)60-56(11,12)40-50/h29-34,43-44,49-50,57-60H,13-28,35-40H2,1-12H3.
What are the key properties of 4-[3-[3-[3,5-bis[3-(2,2-dimethylpiperidin-4-yl)oxypropoxy]phenyl]-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]phenoxy]propoxy]-2,2,6,6-tetramethylpiperidine?
4-[3-[3-[3,5-bis[3-(2,2-dimethylpiperidin-4-yl)oxypropoxy]phenyl]-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]phenoxy]propoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 951.39 g/mol, XLogP of 10.18, 25 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[3,5-bis[3-(2,2-dimethylpiperidin-4-yl)oxypropoxy]phenyl]-5-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]phenoxy]propoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 135274819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).