[2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol

C24H36N2O3 — CID 16676930

IUPAC[2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol
SMILESCOc1ccc(CN(Cc2ccc(C)o2)C2CC(C)(C)NC(C)(C)C2)cc1CO
InChIInChI=1S/C24H36N2O3/c1-17-7-9-21(29-17)15-26(20-12-23(2,3)25-24(4,5)13-20)14-18-8-10-22(28-6)19(11-18)16-27/h7-11,20,25,27H,12-16H2,1-6H3
InChIKeyCJQCBNDUSUYQLO-UHFFFAOYSA-N
MW400.56 g/mol
LogP4.40
Rot. Bonds7

About [2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol

[2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol (PubChem CID 16676930) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is [2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol
PubChem CID16676930
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC Name[2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol
SMILESCOc1ccc(CN(Cc2ccc(C)o2)C2CC(C)(C)NC(C)(C)C2)cc1CO
InChIInChI=1S/C24H36N2O3/c1-17-7-9-21(29-17)15-26(20-12-23(2,3)25-24(4,5)13-20)14-18-8-10-22(28-6)19(11-18)16-27/h7-11,20,25,27H,12-16H2,1-6H3
InChIKeyCJQCBNDUSUYQLO-UHFFFAOYSA-N
XLogP4.40
TPSA57.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol (CID 16676930) is [2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol is COc1ccc(CN(Cc2ccc(C)o2)C2CC(C)(C)NC(C)(C)C2)cc1CO.
What is the InChIKey of [2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol?
The InChIKey is CJQCBNDUSUYQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3/c1-17-7-9-21(29-17)15-26(20-12-23(2,3)25-24(4,5)13-20)14-18-8-10-22(28-6)19(11-18)16-27/h7-11,20,25,27H,12-16H2,1-6H3.
What are the key properties of [2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol?
[2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol has a molecular weight of 400.56 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 16676930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).