2,6-ditert-butyl-4-[(3-methyl-2-pyridinyl)-morpholin-4-ylmethyl]phenol

C25H36N2O2 — CID 155562949

IUPAC2,6-ditert-butyl-4-[(3-methyl-2-pyridinyl)-morpholin-4-ylmethyl]phenol
SMILESCc1cccnc1C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N1CCOCC1
InChIInChI=1S/C25H36N2O2/c1-17-9-8-10-26-21(17)22(27-11-13-29-14-12-27)18-15-19(24(2,3)4)23(28)20(16-18)25(5,6)7/h8-10,15-16,22,28H,11-14H2,1-7H3
InChIKeyUTLXVKQTSHUNFK-UHFFFAOYSA-N
MW396.58 g/mol
LogP5.11
Rot. Bonds3

About 2,6-ditert-butyl-4-[(3-methyl-2-pyridinyl)-morpholin-4-ylmethyl]phenol

2,6-ditert-butyl-4-[(3-methyl-2-pyridinyl)-morpholin-4-ylmethyl]phenol (PubChem CID 155562949) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(3-methyl-2-pyridinyl)-morpholin-4-ylmethyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(3-methyl-2-pyridinyl)-morpholin-4-ylmethyl]phenol
PubChem CID155562949
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name2,6-ditert-butyl-4-[(3-methyl-2-pyridinyl)-morpholin-4-ylmethyl]phenol
SMILESCc1cccnc1C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N1CCOCC1
InChIInChI=1S/C25H36N2O2/c1-17-9-8-10-26-21(17)22(27-11-13-29-14-12-27)18-15-19(24(2,3)4)23(28)20(16-18)25(5,6)7/h8-10,15-16,22,28H,11-14H2,1-7H3
InChIKeyUTLXVKQTSHUNFK-UHFFFAOYSA-N
XLogP5.11
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.11
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-[(3-methyl-2-pyridinyl)-morpholin-4-ylmethyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(3-methyl-2-pyridinyl)-morpholin-4-ylmethyl]phenol (CID 155562949) is 2,6-ditert-butyl-4-[(3-methyl-2-pyridinyl)-morpholin-4-ylmethyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(3-methyl-2-pyridinyl)-morpholin-4-ylmethyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(3-methyl-2-pyridinyl)-morpholin-4-ylmethyl]phenol is Cc1cccnc1C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N1CCOCC1.
What is the InChIKey of 2,6-ditert-butyl-4-[(3-methyl-2-pyridinyl)-morpholin-4-ylmethyl]phenol?
The InChIKey is UTLXVKQTSHUNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-17-9-8-10-26-21(17)22(27-11-13-29-14-12-27)18-15-19(24(2,3)4)23(28)20(16-18)25(5,6)7/h8-10,15-16,22,28H,11-14H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-[(3-methyl-2-pyridinyl)-morpholin-4-ylmethyl]phenol?
2,6-ditert-butyl-4-[(3-methyl-2-pyridinyl)-morpholin-4-ylmethyl]phenol has a molecular weight of 396.58 g/mol, XLogP of 5.11, 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-[(3-methyl-2-pyridinyl)-morpholin-4-ylmethyl]phenol is sourced from PubChem (CID 155562949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).