1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride

C20H24ClNO2 — CID 13786

IUPAC1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride
SMILESO=C(CC(c1ccccc1)c1ccccc1)C[NH+]1CCOCC1.[Cl-]
InChIInChI=1S/C20H23NO2.ClH/c22-19(16-21-11-13-23-14-12-21)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,20H,11-16H2;1H
InChIKeyTUAKBUWSPAHSER-UHFFFAOYSA-N
MW345.87 g/mol
LogP-1.30
Rot. Bonds6

About 1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride

1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride (PubChem CID 13786) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride.

Molecular Properties

Compound Name1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride
PubChem CID13786
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride
SMILESO=C(CC(c1ccccc1)c1ccccc1)C[NH+]1CCOCC1.[Cl-]
InChIInChI=1S/C20H23NO2.ClH/c22-19(16-21-11-13-23-14-12-21)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,20H,11-16H2;1H
InChIKeyTUAKBUWSPAHSER-UHFFFAOYSA-N
XLogP-1.30
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride?
The IUPAC name of 1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride (CID 13786) is 1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride.
What is the SMILES notation for 1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride?
The canonical SMILES for 1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride is O=C(CC(c1ccccc1)c1ccccc1)C[NH+]1CCOCC1.[Cl-].
What is the InChIKey of 1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride?
The InChIKey is TUAKBUWSPAHSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2.ClH/c22-19(16-21-11-13-23-14-12-21)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,20H,11-16H2;1H.
What are the key properties of 1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride?
1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride has a molecular weight of 345.87 g/mol, XLogP of -1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride is sourced from PubChem (CID 13786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).