3-[(3-pyridin-2-ylphenyl)methyl]morpholine

C16H18N2O — CID 118936323

IUPAC3-[(3-pyridin-2-ylphenyl)methyl]morpholine
SMILESc1ccc(-c2cccc(CC3COCCN3)c2)nc1
InChIInChI=1S/C16H18N2O/c1-2-7-18-16(6-1)14-5-3-4-13(10-14)11-15-12-19-9-8-17-15/h1-7,10,15,17H,8-9,11-12H2
InChIKeyQLHCLQYVJUGOQL-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.28
Rot. Bonds3

About 3-[(3-pyridin-2-ylphenyl)methyl]morpholine

3-[(3-pyridin-2-ylphenyl)methyl]morpholine (PubChem CID 118936323) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[(3-pyridin-2-ylphenyl)methyl]morpholine.

Molecular Properties

Compound Name3-[(3-pyridin-2-ylphenyl)methyl]morpholine
PubChem CID118936323
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-[(3-pyridin-2-ylphenyl)methyl]morpholine
SMILESc1ccc(-c2cccc(CC3COCCN3)c2)nc1
InChIInChI=1S/C16H18N2O/c1-2-7-18-16(6-1)14-5-3-4-13(10-14)11-15-12-19-9-8-17-15/h1-7,10,15,17H,8-9,11-12H2
InChIKeyQLHCLQYVJUGOQL-UHFFFAOYSA-N
XLogP2.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-pyridin-2-ylphenyl)methyl]morpholine?
The IUPAC name of 3-[(3-pyridin-2-ylphenyl)methyl]morpholine (CID 118936323) is 3-[(3-pyridin-2-ylphenyl)methyl]morpholine.
What is the SMILES notation for 3-[(3-pyridin-2-ylphenyl)methyl]morpholine?
The canonical SMILES for 3-[(3-pyridin-2-ylphenyl)methyl]morpholine is c1ccc(-c2cccc(CC3COCCN3)c2)nc1.
What is the InChIKey of 3-[(3-pyridin-2-ylphenyl)methyl]morpholine?
The InChIKey is QLHCLQYVJUGOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-7-18-16(6-1)14-5-3-4-13(10-14)11-15-12-19-9-8-17-15/h1-7,10,15,17H,8-9,11-12H2.
What are the key properties of 3-[(3-pyridin-2-ylphenyl)methyl]morpholine?
3-[(3-pyridin-2-ylphenyl)methyl]morpholine has a molecular weight of 254.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-pyridin-2-ylphenyl)methyl]morpholine is sourced from PubChem (CID 118936323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).