1-morpholin-4-yl-3-phenylbutan-1-one

C14H19NO2 — CID 2914262

IUPAC1-morpholin-4-yl-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-12(13-5-3-2-4-6-13)11-14(16)15-7-9-17-10-8-15/h2-6,12H,7-11H2,1H3
InChIKeyMBOHDDFPFVOVGY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.04
Rot. Bonds3

About 1-morpholin-4-yl-3-phenylbutan-1-one

1-morpholin-4-yl-3-phenylbutan-1-one (PubChem CID 2914262) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-phenylbutan-1-one
PubChem CID2914262
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-morpholin-4-yl-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-12(13-5-3-2-4-6-13)11-14(16)15-7-9-17-10-8-15/h2-6,12H,7-11H2,1H3
InChIKeyMBOHDDFPFVOVGY-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-phenylbutan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-phenylbutan-1-one (CID 2914262) is 1-morpholin-4-yl-3-phenylbutan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-phenylbutan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-phenylbutan-1-one is CC(CC(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 1-morpholin-4-yl-3-phenylbutan-1-one?
The InChIKey is MBOHDDFPFVOVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-12(13-5-3-2-4-6-13)11-14(16)15-7-9-17-10-8-15/h2-6,12H,7-11H2,1H3.
What are the key properties of 1-morpholin-4-yl-3-phenylbutan-1-one?
1-morpholin-4-yl-3-phenylbutan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-phenylbutan-1-one is sourced from PubChem (CID 2914262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).