6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one

C13H17FN2O2 — CID 115060310

IUPAC6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one
SMILESNCCCC1CN(c2ccc(F)cc2)C(=O)CO1
InChIInChI=1S/C13H17FN2O2/c14-10-3-5-11(6-4-10)16-8-12(2-1-7-15)18-9-13(16)17/h3-6,12H,1-2,7-9,15H2
InChIKeyFFTISSJDOBNJJR-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.30
Rot. Bonds4

About 6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one

6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one (PubChem CID 115060310) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one.

Molecular Properties

Compound Name6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one
PubChem CID115060310
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one
SMILESNCCCC1CN(c2ccc(F)cc2)C(=O)CO1
InChIInChI=1S/C13H17FN2O2/c14-10-3-5-11(6-4-10)16-8-12(2-1-7-15)18-9-13(16)17/h3-6,12H,1-2,7-9,15H2
InChIKeyFFTISSJDOBNJJR-UHFFFAOYSA-N
XLogP1.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one?
The IUPAC name of 6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one (CID 115060310) is 6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one.
What is the SMILES notation for 6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one?
The canonical SMILES for 6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one is NCCCC1CN(c2ccc(F)cc2)C(=O)CO1.
What is the InChIKey of 6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one?
The InChIKey is FFTISSJDOBNJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-10-3-5-11(6-4-10)16-8-12(2-1-7-15)18-9-13(16)17/h3-6,12H,1-2,7-9,15H2.
What are the key properties of 6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one?
6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one has a molecular weight of 252.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one is sourced from PubChem (CID 115060310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).