1-(4-morpholin-4-ylphenyl)butan-1-one

C14H19NO2 — CID 11020796

IUPAC1-(4-morpholin-4-ylphenyl)butan-1-one
SMILESCCCC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H19NO2/c1-2-3-14(16)12-4-6-13(7-5-12)15-8-10-17-11-9-15/h4-7H,2-3,8-11H2,1H3
InChIKeyJKVSAZTYCZKNDX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.51
Rot. Bonds4

About 1-(4-morpholin-4-ylphenyl)butan-1-one

1-(4-morpholin-4-ylphenyl)butan-1-one (PubChem CID 11020796) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylphenyl)butan-1-one.

Molecular Properties

Compound Name1-(4-morpholin-4-ylphenyl)butan-1-one
PubChem CID11020796
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(4-morpholin-4-ylphenyl)butan-1-one
SMILESCCCC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H19NO2/c1-2-3-14(16)12-4-6-13(7-5-12)15-8-10-17-11-9-15/h4-7H,2-3,8-11H2,1H3
InChIKeyJKVSAZTYCZKNDX-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylphenyl)butan-1-one?
The IUPAC name of 1-(4-morpholin-4-ylphenyl)butan-1-one (CID 11020796) is 1-(4-morpholin-4-ylphenyl)butan-1-one.
What is the SMILES notation for 1-(4-morpholin-4-ylphenyl)butan-1-one?
The canonical SMILES for 1-(4-morpholin-4-ylphenyl)butan-1-one is CCCC(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(4-morpholin-4-ylphenyl)butan-1-one?
The InChIKey is JKVSAZTYCZKNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-3-14(16)12-4-6-13(7-5-12)15-8-10-17-11-9-15/h4-7H,2-3,8-11H2,1H3.
What are the key properties of 1-(4-morpholin-4-ylphenyl)butan-1-one?
1-(4-morpholin-4-ylphenyl)butan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylphenyl)butan-1-one is sourced from PubChem (CID 11020796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).