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

C51H92N4O7 — CID 129060293

IUPAC1,2,2,6-tetramethyl-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)N1C
InChIInChI=1S/C51H92N4O7/c1-32(2)48(17)28-36(24-44(9,10)52(48)21)59-40-22-42(61-38-26-46(13,14)54(57)50(19,30-38)34(5)6)43(62-39-27-47(15,16)55(58)51(20,31-39)35(7)8)23-41(40)60-37-25-45(11,12)53(56)49(18,29-37)33(3)4/h22-23,32-39,56-58H,24-31H2,1-21H3
InChIKeyVYGQKUDWMWFYHD-UHFFFAOYSA-N
MW873.32 g/mol
LogP11.63
Rot. Bonds12

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

1,2,2,6-tetramethyl-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 129060293) has the molecular formula C51H92N4O7 and a molecular weight of 873.32 g/mol. Its IUPAC name is 1,2,2,6-tetramethyl-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 Name1,2,2,6-tetramethyl-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 CID129060293
Molecular FormulaC51H92N4O7
Molecular Weight873.32 g/mol
Exact Mass872.70
IUPAC Name1,2,2,6-tetramethyl-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)N1C
InChIInChI=1S/C51H92N4O7/c1-32(2)48(17)28-36(24-44(9,10)52(48)21)59-40-22-42(61-38-26-46(13,14)54(57)50(19,30-38)34(5)6)43(62-39-27-47(15,16)55(58)51(20,31-39)35(7)8)23-41(40)60-37-25-45(11,12)53(56)49(18,29-37)33(3)4/h22-23,32-39,56-58H,24-31H2,1-21H3
InChIKeyVYGQKUDWMWFYHD-UHFFFAOYSA-N
XLogP11.63
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500873.32
LogP ≤ 511.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,6-tetramethyl-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 1,2,2,6-tetramethyl-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 129060293) is 1,2,2,6-tetramethyl-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 1,2,2,6-tetramethyl-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 1,2,2,6-tetramethyl-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)N1C.
What is the InChIKey of 1,2,2,6-tetramethyl-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 VYGQKUDWMWFYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H92N4O7/c1-32(2)48(17)28-36(24-44(9,10)52(48)21)59-40-22-42(61-38-26-46(13,14)54(57)50(19,30-38)34(5)6)43(62-39-27-47(15,16)55(58)51(20,31-39)35(7)8)23-41(40)60-37-25-45(11,12)53(56)49(18,29-37)33(3)4/h22-23,32-39,56-58H,24-31H2,1-21H3.
What are the key properties of 1,2,2,6-tetramethyl-6-propan-2-yl-4-[2,4,5-tris[(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxy]phenoxy]piperidine?
1,2,2,6-tetramethyl-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 873.32 g/mol, XLogP of 11.63, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6-tetramethyl-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 129060293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).