2,6-ditert-butyl-4-[morpholin-4-yl(pyridin-2-yl)methyl]phenol

C24H34N2O2 — CID 4016538

IUPAC2,6-ditert-butyl-4-[morpholin-4-yl(pyridin-2-yl)methyl]phenol
SMILESCC(C)(C)c1cc(C(c2ccccn2)N2CCOCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H34N2O2/c1-23(2,3)18-15-17(16-19(22(18)27)24(4,5)6)21(20-9-7-8-10-25-20)26-11-13-28-14-12-26/h7-10,15-16,21,27H,11-14H2,1-6H3
InChIKeyFHIRILMXIWNDLT-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.80
Rot. Bonds3

About 2,6-ditert-butyl-4-[morpholin-4-yl(pyridin-2-yl)methyl]phenol

2,6-ditert-butyl-4-[morpholin-4-yl(pyridin-2-yl)methyl]phenol (PubChem CID 4016538) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[morpholin-4-yl(pyridin-2-yl)methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[morpholin-4-yl(pyridin-2-yl)methyl]phenol
PubChem CID4016538
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name2,6-ditert-butyl-4-[morpholin-4-yl(pyridin-2-yl)methyl]phenol
SMILESCC(C)(C)c1cc(C(c2ccccn2)N2CCOCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H34N2O2/c1-23(2,3)18-15-17(16-19(22(18)27)24(4,5)6)21(20-9-7-8-10-25-20)26-11-13-28-14-12-26/h7-10,15-16,21,27H,11-14H2,1-6H3
InChIKeyFHIRILMXIWNDLT-UHFFFAOYSA-N
XLogP4.80
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[morpholin-4-yl(pyridin-2-yl)methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[morpholin-4-yl(pyridin-2-yl)methyl]phenol (CID 4016538) is 2,6-ditert-butyl-4-[morpholin-4-yl(pyridin-2-yl)methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[morpholin-4-yl(pyridin-2-yl)methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[morpholin-4-yl(pyridin-2-yl)methyl]phenol is CC(C)(C)c1cc(C(c2ccccn2)N2CCOCC2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[morpholin-4-yl(pyridin-2-yl)methyl]phenol?
The InChIKey is FHIRILMXIWNDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-23(2,3)18-15-17(16-19(22(18)27)24(4,5)6)21(20-9-7-8-10-25-20)26-11-13-28-14-12-26/h7-10,15-16,21,27H,11-14H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-[morpholin-4-yl(pyridin-2-yl)methyl]phenol?
2,6-ditert-butyl-4-[morpholin-4-yl(pyridin-2-yl)methyl]phenol has a molecular weight of 382.55 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[morpholin-4-yl(pyridin-2-yl)methyl]phenol is sourced from PubChem (CID 4016538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).