4-(3-methyl-1-phenyl-1-pyridin-2-ylbutan-2-yl)morpholine

C20H26N2O — CID 44890598

IUPAC4-(3-methyl-1-phenyl-1-pyridin-2-ylbutan-2-yl)morpholine
SMILESCC(C)C(C(c1ccccc1)c1ccccn1)N1CCOCC1
InChIInChI=1S/C20H26N2O/c1-16(2)20(22-12-14-23-15-13-22)19(17-8-4-3-5-9-17)18-10-6-7-11-21-18/h3-11,16,19-20H,12-15H2,1-2H3
InChIKeyXBSWXNXFFUYYAO-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.57
Rot. Bonds5

About 4-(3-methyl-1-phenyl-1-pyridin-2-ylbutan-2-yl)morpholine

4-(3-methyl-1-phenyl-1-pyridin-2-ylbutan-2-yl)morpholine (PubChem CID 44890598) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-(3-methyl-1-phenyl-1-pyridin-2-ylbutan-2-yl)morpholine.

Molecular Properties

Compound Name4-(3-methyl-1-phenyl-1-pyridin-2-ylbutan-2-yl)morpholine
PubChem CID44890598
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name4-(3-methyl-1-phenyl-1-pyridin-2-ylbutan-2-yl)morpholine
SMILESCC(C)C(C(c1ccccc1)c1ccccn1)N1CCOCC1
InChIInChI=1S/C20H26N2O/c1-16(2)20(22-12-14-23-15-13-22)19(17-8-4-3-5-9-17)18-10-6-7-11-21-18/h3-11,16,19-20H,12-15H2,1-2H3
InChIKeyXBSWXNXFFUYYAO-UHFFFAOYSA-N
XLogP3.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-phenyl-1-pyridin-2-ylbutan-2-yl)morpholine?
The IUPAC name of 4-(3-methyl-1-phenyl-1-pyridin-2-ylbutan-2-yl)morpholine (CID 44890598) is 4-(3-methyl-1-phenyl-1-pyridin-2-ylbutan-2-yl)morpholine.
What is the SMILES notation for 4-(3-methyl-1-phenyl-1-pyridin-2-ylbutan-2-yl)morpholine?
The canonical SMILES for 4-(3-methyl-1-phenyl-1-pyridin-2-ylbutan-2-yl)morpholine is CC(C)C(C(c1ccccc1)c1ccccn1)N1CCOCC1.
What is the InChIKey of 4-(3-methyl-1-phenyl-1-pyridin-2-ylbutan-2-yl)morpholine?
The InChIKey is XBSWXNXFFUYYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16(2)20(22-12-14-23-15-13-22)19(17-8-4-3-5-9-17)18-10-6-7-11-21-18/h3-11,16,19-20H,12-15H2,1-2H3.
What are the key properties of 4-(3-methyl-1-phenyl-1-pyridin-2-ylbutan-2-yl)morpholine?
4-(3-methyl-1-phenyl-1-pyridin-2-ylbutan-2-yl)morpholine has a molecular weight of 310.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-phenyl-1-pyridin-2-ylbutan-2-yl)morpholine is sourced from PubChem (CID 44890598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).