3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one

C16H24NO3+ — CID 7033556

IUPAC3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)CC[NH+]2CCOCC2)cc1
InChIInChI=1S/C16H23NO3/c1-2-11-20-15-5-3-14(4-6-15)16(18)7-8-17-9-12-19-13-10-17/h3-6H,2,7-13H2,1H3/p+1
InChIKeyGININFIMLWAZBV-UHFFFAOYSA-O
MW278.37 g/mol
LogP0.96
Rot. Bonds7

About 3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one

3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one (PubChem CID 7033556) has the molecular formula C16H24NO3+ and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one
PubChem CID7033556
Molecular FormulaC16H24NO3+
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)CC[NH+]2CCOCC2)cc1
InChIInChI=1S/C16H23NO3/c1-2-11-20-15-5-3-14(4-6-15)16(18)7-8-17-9-12-19-13-10-17/h3-6H,2,7-13H2,1H3/p+1
InChIKeyGININFIMLWAZBV-UHFFFAOYSA-O
XLogP0.96
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-morpholin-4-ium-4-yl-1-(4-pentoxyphenyl)propan-1-one chloride
CID 44659622
3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-one
CID 3609295
1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride
CID 2748202
3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)propan-1-one
CID 6947222
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
4-[4-(4-morpholin-4-ium-4-ylbutoxy)phenyl]butan-2-one
CID 7379640
2-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)ethanone chloride
CID 44657749
3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 3056738
butyl 4-oxo-4-(4-propoxyphenyl)butanoate
CID 60731121

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one?
The IUPAC name of 3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one (CID 7033556) is 3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one.
What is the SMILES notation for 3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one?
The canonical SMILES for 3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one is CCCOc1ccc(C(=O)CC[NH+]2CCOCC2)cc1.
What is the InChIKey of 3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one?
The InChIKey is GININFIMLWAZBV-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23NO3/c1-2-11-20-15-5-3-14(4-6-15)16(18)7-8-17-9-12-19-13-10-17/h3-6H,2,7-13H2,1H3/p+1.
What are the key properties of 3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one?
3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one has a molecular weight of 278.37 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one is sourced from PubChem (CID 7033556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).