(2R)-4-(6-ethyl-3-pyridinyl)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine

C15H22FN3O — CID 166682724

IUPAC(2R)-4-(6-ethyl-3-pyridinyl)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine
SMILESCCc1ccc(N2CCO[C@H](CN3CC(F)C3)C2)cn1
InChIInChI=1S/C15H22FN3O/c1-2-13-3-4-14(7-17-13)19-5-6-20-15(11-19)10-18-8-12(16)9-18/h3-4,7,12,15H,2,5-6,8-11H2,1H3/t15-/m1/s1
InChIKeyWGWRQDMAAHWARR-OAHLLOKOSA-N
MW279.36 g/mol
LogP1.50
Rot. Bonds4

About (2R)-4-(6-ethyl-3-pyridinyl)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine

(2R)-4-(6-ethyl-3-pyridinyl)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine (PubChem CID 166682724) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is (2R)-4-(6-ethyl-3-pyridinyl)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-4-(6-ethyl-3-pyridinyl)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine
PubChem CID166682724
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name(2R)-4-(6-ethyl-3-pyridinyl)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine
SMILESCCc1ccc(N2CCO[C@H](CN3CC(F)C3)C2)cn1
InChIInChI=1S/C15H22FN3O/c1-2-13-3-4-14(7-17-13)19-5-6-20-15(11-19)10-18-8-12(16)9-18/h3-4,7,12,15H,2,5-6,8-11H2,1H3/t15-/m1/s1
InChIKeyWGWRQDMAAHWARR-OAHLLOKOSA-N
XLogP1.50
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(6-ethyl-3-pyridinyl)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine?
The IUPAC name of (2R)-4-(6-ethyl-3-pyridinyl)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine (CID 166682724) is (2R)-4-(6-ethyl-3-pyridinyl)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine.
What is the SMILES notation for (2R)-4-(6-ethyl-3-pyridinyl)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine?
The canonical SMILES for (2R)-4-(6-ethyl-3-pyridinyl)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine is CCc1ccc(N2CCO[C@H](CN3CC(F)C3)C2)cn1.
What is the InChIKey of (2R)-4-(6-ethyl-3-pyridinyl)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine?
The InChIKey is WGWRQDMAAHWARR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-13-3-4-14(7-17-13)19-5-6-20-15(11-19)10-18-8-12(16)9-18/h3-4,7,12,15H,2,5-6,8-11H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-4-(6-ethyl-3-pyridinyl)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine?
(2R)-4-(6-ethyl-3-pyridinyl)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine has a molecular weight of 279.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(6-ethyl-3-pyridinyl)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine is sourced from PubChem (CID 166682724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).