1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one

C15H20ClNO2 — CID 62618005

IUPAC1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1(C)COCCN1CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO2/c1-15(2)11-19-10-9-17(15)8-7-14(18)12-3-5-13(16)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeySKRBCHWRLGLAQI-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.02
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one

1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 62618005) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one
PubChem CID62618005
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1(C)COCCN1CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO2/c1-15(2)11-19-10-9-17(15)8-7-14(18)12-3-5-13(16)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeySKRBCHWRLGLAQI-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one (CID 62618005) is 1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one is CC1(C)COCCN1CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is SKRBCHWRLGLAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-15(2)11-19-10-9-17(15)8-7-14(18)12-3-5-13(16)6-4-12/h3-6H,7-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one?
1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 281.78 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 62618005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).