1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine

C50H90N4O8 — CID 129060294

IUPAC1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine
SMILESCC(C)C1(C)CC(Oc2cc(OC3CC(C)(C)N(O)C(C)(C(C)C)C3)c(OC3CC(C)(C)N(O)C(C)(C(C)C)C3)cc2OC2CC(C)(C)N(O)C(C)(C(C)C)C2)CC(C)(C)N1O
InChIInChI=1S/C50H90N4O8/c1-31(2)47(17)27-35(23-43(9,10)51(47)55)59-39-21-41(61-37-25-45(13,14)53(57)49(19,29-37)33(5)6)42(62-38-26-46(15,16)54(58)50(20,30-38)34(7)8)22-40(39)60-36-24-44(11,12)52(56)48(18,28-36)32(3)4/h21-22,31-38,55-58H,23-30H2,1-20H3
InChIKeyFIWDGOWMFJEPNX-UHFFFAOYSA-N
MW875.29 g/mol
LogP11.39
Rot. Bonds12

About 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine

1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine (PubChem CID 129060294) has the molecular formula C50H90N4O8 and a molecular weight of 875.29 g/mol. Its IUPAC name is 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine.

Molecular Properties

Compound Name1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine
PubChem CID129060294
Molecular FormulaC50H90N4O8
Molecular Weight875.29 g/mol
Exact Mass874.68
IUPAC Name1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine
SMILESCC(C)C1(C)CC(Oc2cc(OC3CC(C)(C)N(O)C(C)(C(C)C)C3)c(OC3CC(C)(C)N(O)C(C)(C(C)C)C3)cc2OC2CC(C)(C)N(O)C(C)(C(C)C)C2)CC(C)(C)N1O
InChIInChI=1S/C50H90N4O8/c1-31(2)47(17)27-35(23-43(9,10)51(47)55)59-39-21-41(61-37-25-45(13,14)53(57)49(19,29-37)33(5)6)42(62-38-26-46(15,16)54(58)50(20,30-38)34(7)8)22-40(39)60-36-24-44(11,12)52(56)48(18,28-36)32(3)4/h21-22,31-38,55-58H,23-30H2,1-20H3
InChIKeyFIWDGOWMFJEPNX-UHFFFAOYSA-N
XLogP11.39
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500875.29
LogP ≤ 511.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine?
The IUPAC name of 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine (CID 129060294) is 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine.
What is the SMILES notation for 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine?
The canonical SMILES for 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine is CC(C)C1(C)CC(Oc2cc(OC3CC(C)(C)N(O)C(C)(C(C)C)C3)c(OC3CC(C)(C)N(O)C(C)(C(C)C)C3)cc2OC2CC(C)(C)N(O)C(C)(C(C)C)C2)CC(C)(C)N1O.
What is the InChIKey of 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine?
The InChIKey is FIWDGOWMFJEPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H90N4O8/c1-31(2)47(17)27-35(23-43(9,10)51(47)55)59-39-21-41(61-37-25-45(13,14)53(57)49(19,29-37)33(5)6)42(62-38-26-46(15,16)54(58)50(20,30-38)34(7)8)22-40(39)60-36-24-44(11,12)52(56)48(18,28-36)32(3)4/h21-22,31-38,55-58H,23-30H2,1-20H3.
What are the key properties of 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine?
1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine has a molecular weight of 875.29 g/mol, XLogP of 11.39, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine is sourced from PubChem (CID 129060294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).