4-[2-[3,4-bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine

C56H94N4O8 — CID 121248224

IUPAC4-[2-[3,4-bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine
SMILESCC(C)C1CC(Oc2ccc(-c3ccc(OC4CC(C(C)C)N(O)C(C(C)C)C4)c(OC4CC(C(C)C)N(O)C(C(C)C)C4)c3)c(OC3CC(C(C)C)N(O)C(C(C)C)C3)c2)CC(C(C)C)N1O
InChIInChI=1S/C56H94N4O8/c1-31(2)46-22-41(23-47(32(3)4)57(46)61)65-40-18-19-45(55(30-40)67-43-26-50(35(9)10)59(63)51(27-43)36(11)12)39-17-20-54(66-42-24-48(33(5)6)58(62)49(25-42)34(7)8)56(21-39)68-44-28-52(37(13)14)60(64)53(29-44)38(15)16/h17-21,30-38,41-44,46-53,61-64H,22-29H2,1-16H3
InChIKeyGRIXOFANVOHLTL-UHFFFAOYSA-N
MW951.39 g/mol
LogP12.48
Rot. Bonds17

About 4-[2-[3,4-bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine

4-[2-[3,4-bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine (PubChem CID 121248224) has the molecular formula C56H94N4O8 and a molecular weight of 951.39 g/mol. Its IUPAC name is 4-[2-[3,4-bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name4-[2-[3,4-bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine
PubChem CID121248224
Molecular FormulaC56H94N4O8
Molecular Weight951.39 g/mol
Exact Mass950.71
IUPAC Name4-[2-[3,4-bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine
SMILESCC(C)C1CC(Oc2ccc(-c3ccc(OC4CC(C(C)C)N(O)C(C(C)C)C4)c(OC4CC(C(C)C)N(O)C(C(C)C)C4)c3)c(OC3CC(C(C)C)N(O)C(C(C)C)C3)c2)CC(C(C)C)N1O
InChIInChI=1S/C56H94N4O8/c1-31(2)46-22-41(23-47(32(3)4)57(46)61)65-40-18-19-45(55(30-40)67-43-26-50(35(9)10)59(63)51(27-43)36(11)12)39-17-20-54(66-42-24-48(33(5)6)58(62)49(25-42)34(7)8)56(21-39)68-44-28-52(37(13)14)60(64)53(29-44)38(15)16/h17-21,30-38,41-44,46-53,61-64H,22-29H2,1-16H3
InChIKeyGRIXOFANVOHLTL-UHFFFAOYSA-N
XLogP12.48
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500951.39
LogP ≤ 512.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 4-[2-[3,4-bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,4-bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine?
The IUPAC name of 4-[2-[3,4-bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine (CID 121248224) is 4-[2-[3,4-bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine.
What is the SMILES notation for 4-[2-[3,4-bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine?
The canonical SMILES for 4-[2-[3,4-bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine is CC(C)C1CC(Oc2ccc(-c3ccc(OC4CC(C(C)C)N(O)C(C(C)C)C4)c(OC4CC(C(C)C)N(O)C(C(C)C)C4)c3)c(OC3CC(C(C)C)N(O)C(C(C)C)C3)c2)CC(C(C)C)N1O.
What is the InChIKey of 4-[2-[3,4-bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine?
The InChIKey is GRIXOFANVOHLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H94N4O8/c1-31(2)46-22-41(23-47(32(3)4)57(46)61)65-40-18-19-45(55(30-40)67-43-26-50(35(9)10)59(63)51(27-43)36(11)12)39-17-20-54(66-42-24-48(33(5)6)58(62)49(25-42)34(7)8)56(21-39)68-44-28-52(37(13)14)60(64)53(29-44)38(15)16/h17-21,30-38,41-44,46-53,61-64H,22-29H2,1-16H3.
What are the key properties of 4-[2-[3,4-bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine?
4-[2-[3,4-bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine has a molecular weight of 951.39 g/mol, XLogP of 12.48, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,4-bis[[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenyl]-5-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-1-hydroxy-2,6-di(propan-2-yl)piperidine is sourced from PubChem (CID 121248224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).