2-(2-phenylethyl)-4-(pyridin-4-ylmethyl)morpholine

C18H22N2O — CID 45235844

IUPAC2-(2-phenylethyl)-4-(pyridin-4-ylmethyl)morpholine
SMILESc1ccc(CCC2CN(Cc3ccncc3)CCO2)cc1
InChIInChI=1S/C18H22N2O/c1-2-4-16(5-3-1)6-7-18-15-20(12-13-21-18)14-17-8-10-19-11-9-17/h1-5,8-11,18H,6-7,12-15H2
InChIKeyRATLBTUZAOBOCS-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.92
Rot. Bonds5

About 2-(2-phenylethyl)-4-(pyridin-4-ylmethyl)morpholine

2-(2-phenylethyl)-4-(pyridin-4-ylmethyl)morpholine (PubChem CID 45235844) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(2-phenylethyl)-4-(pyridin-4-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(2-phenylethyl)-4-(pyridin-4-ylmethyl)morpholine
PubChem CID45235844
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(2-phenylethyl)-4-(pyridin-4-ylmethyl)morpholine
SMILESc1ccc(CCC2CN(Cc3ccncc3)CCO2)cc1
InChIInChI=1S/C18H22N2O/c1-2-4-16(5-3-1)6-7-18-15-20(12-13-21-18)14-17-8-10-19-11-9-17/h1-5,8-11,18H,6-7,12-15H2
InChIKeyRATLBTUZAOBOCS-UHFFFAOYSA-N
XLogP2.92
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-4-(pyridin-4-ylmethyl)morpholine?
The IUPAC name of 2-(2-phenylethyl)-4-(pyridin-4-ylmethyl)morpholine (CID 45235844) is 2-(2-phenylethyl)-4-(pyridin-4-ylmethyl)morpholine.
What is the SMILES notation for 2-(2-phenylethyl)-4-(pyridin-4-ylmethyl)morpholine?
The canonical SMILES for 2-(2-phenylethyl)-4-(pyridin-4-ylmethyl)morpholine is c1ccc(CCC2CN(Cc3ccncc3)CCO2)cc1.
What is the InChIKey of 2-(2-phenylethyl)-4-(pyridin-4-ylmethyl)morpholine?
The InChIKey is RATLBTUZAOBOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-4-16(5-3-1)6-7-18-15-20(12-13-21-18)14-17-8-10-19-11-9-17/h1-5,8-11,18H,6-7,12-15H2.
What are the key properties of 2-(2-phenylethyl)-4-(pyridin-4-ylmethyl)morpholine?
2-(2-phenylethyl)-4-(pyridin-4-ylmethyl)morpholine has a molecular weight of 282.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-4-(pyridin-4-ylmethyl)morpholine is sourced from PubChem (CID 45235844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).