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

C14H19NO2 — CID 19831

IUPAC4-morpholin-4-yl-1-phenylbutan-1-one
SMILESO=C(CCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C14H19NO2/c16-14(13-5-2-1-3-6-13)7-4-8-15-9-11-17-12-10-15/h1-3,5-6H,4,7-12H2
InChIKeyNGGBBEAUVRBDHF-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.98
Rot. Bonds5

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

4-morpholin-4-yl-1-phenylbutan-1-one (PubChem CID 19831) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-morpholin-4-yl-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-morpholin-4-yl-1-phenylbutan-1-one
PubChem CID19831
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-morpholin-4-yl-1-phenylbutan-1-one
SMILESO=C(CCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C14H19NO2/c16-14(13-5-2-1-3-6-13)7-4-8-15-9-11-17-12-10-15/h1-3,5-6H,4,7-12H2
InChIKeyNGGBBEAUVRBDHF-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-1-phenylbutan-1-one?
The IUPAC name of 4-morpholin-4-yl-1-phenylbutan-1-one (CID 19831) is 4-morpholin-4-yl-1-phenylbutan-1-one.
What is the SMILES notation for 4-morpholin-4-yl-1-phenylbutan-1-one?
The canonical SMILES for 4-morpholin-4-yl-1-phenylbutan-1-one is O=C(CCCN1CCOCC1)c1ccccc1.
What is the InChIKey of 4-morpholin-4-yl-1-phenylbutan-1-one?
The InChIKey is NGGBBEAUVRBDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(13-5-2-1-3-6-13)7-4-8-15-9-11-17-12-10-15/h1-3,5-6H,4,7-12H2.
What are the key properties of 4-morpholin-4-yl-1-phenylbutan-1-one?
4-morpholin-4-yl-1-phenylbutan-1-one has a molecular weight of 233.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-1-phenylbutan-1-one is sourced from PubChem (CID 19831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).