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

C24H35N2O2+ — CID 7721412

IUPAC2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]phenol
SMILESCC(C)(C)c1cc([C@H](c2ccncc2)[NH+]2CCOCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H34N2O2/c1-23(2,3)19-15-18(16-20(22(19)27)24(4,5)6)21(17-7-9-25-10-8-17)26-11-13-28-14-12-26/h7-10,15-16,21,27H,11-14H2,1-6H3/p+1/t21-/m0/s1
InChIKeyBKNZBXOKANILIF-NRFANRHFSA-O
MW383.56 g/mol
LogP3.39
Rot. Bonds3

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

2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]phenol (PubChem CID 7721412) has the molecular formula C24H35N2O2+ and a molecular weight of 383.56 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]phenol
PubChem CID7721412
Molecular FormulaC24H35N2O2+
Molecular Weight383.56 g/mol
Exact Mass383.27
IUPAC Name2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]phenol
SMILESCC(C)(C)c1cc([C@H](c2ccncc2)[NH+]2CCOCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H34N2O2/c1-23(2,3)19-15-18(16-20(22(19)27)24(4,5)6)21(17-7-9-25-10-8-17)26-11-13-28-14-12-26/h7-10,15-16,21,27H,11-14H2,1-6H3/p+1/t21-/m0/s1
InChIKeyBKNZBXOKANILIF-NRFANRHFSA-O
XLogP3.39
TPSA46.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]phenol (CID 7721412) is 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]phenol is CC(C)(C)c1cc([C@H](c2ccncc2)[NH+]2CCOCC2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]phenol?
The InChIKey is BKNZBXOKANILIF-NRFANRHFSA-O. The full InChI is InChI=1S/C24H34N2O2/c1-23(2,3)19-15-18(16-20(22(19)27)24(4,5)6)21(17-7-9-25-10-8-17)26-11-13-28-14-12-26/h7-10,15-16,21,27H,11-14H2,1-6H3/p+1/t21-/m0/s1.
What are the key properties of 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]phenol?
2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]phenol has a molecular weight of 383.56 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]phenol is sourced from PubChem (CID 7721412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).