1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one

C16H22FNO2 — CID 48862252

IUPAC1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(Cc1ccc(F)cc1)C(=O)N1CCOCC1(C)C
InChIInChI=1S/C16H22FNO2/c1-12(10-13-4-6-14(17)7-5-13)15(19)18-8-9-20-11-16(18,2)3/h4-7,12H,8-11H2,1-3H3
InChIKeyCYTNYXAJIVFEBE-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.64
Rot. Bonds3

About 1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one

1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one (PubChem CID 48862252) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one
PubChem CID48862252
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(Cc1ccc(F)cc1)C(=O)N1CCOCC1(C)C
InChIInChI=1S/C16H22FNO2/c1-12(10-13-4-6-14(17)7-5-13)15(19)18-8-9-20-11-16(18,2)3/h4-7,12H,8-11H2,1-3H3
InChIKeyCYTNYXAJIVFEBE-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one
CID 110313085
1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one
CID 110353781
(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61430243
(2R)-1-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropan-1-one
CID 126987422
(2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 78973108
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-(4-fluorophenyl)-2-methylpropan-1-one
CID 167757594
1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one
CID 48521768
2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one
CID 61430745
2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one
CID 110674004
1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one
CID 110421746
2-(3,4-dimethoxyphenyl)-1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 110304702
1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one
CID 110421813

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one (CID 48862252) is 1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one is CC(Cc1ccc(F)cc1)C(=O)N1CCOCC1(C)C.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is CYTNYXAJIVFEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-12(10-13-4-6-14(17)7-5-13)15(19)18-8-9-20-11-16(18,2)3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one?
1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 279.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 48862252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).