4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]morpholine

C14H17FN4O — CID 50852595

IUPAC4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]morpholine
SMILESFc1ccc(-c2cn(CCN3CCOCC3)nn2)cc1
InChIInChI=1S/C14H17FN4O/c15-13-3-1-12(2-4-13)14-11-19(17-16-14)6-5-18-7-9-20-10-8-18/h1-4,11H,5-10H2
InChIKeyOWZOPVYKXBDYKG-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.42
Rot. Bonds4

About 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]morpholine

4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]morpholine (PubChem CID 50852595) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]morpholine
PubChem CID50852595
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]morpholine
SMILESFc1ccc(-c2cn(CCN3CCOCC3)nn2)cc1
InChIInChI=1S/C14H17FN4O/c15-13-3-1-12(2-4-13)14-11-19(17-16-14)6-5-18-7-9-20-10-8-18/h1-4,11H,5-10H2
InChIKeyOWZOPVYKXBDYKG-UHFFFAOYSA-N
XLogP1.42
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]morpholine (CID 50852595) is 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]morpholine is Fc1ccc(-c2cn(CCN3CCOCC3)nn2)cc1.
What is the InChIKey of 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]morpholine?
The InChIKey is OWZOPVYKXBDYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c15-13-3-1-12(2-4-13)14-11-19(17-16-14)6-5-18-7-9-20-10-8-18/h1-4,11H,5-10H2.
What are the key properties of 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]morpholine?
4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]morpholine has a molecular weight of 276.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 50852595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).