1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate

C16H24NO4+ — CID 5204807

IUPAC1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC(C)C[NH+]2CCOCC2)cc1
InChIInChI=1S/C16H23NO4/c1-13(12-17-7-9-20-10-8-17)21-16(18)11-14-3-5-15(19-2)6-4-14/h3-6,13H,7-12H2,1-2H3/p+1
InChIKeyHUJFTHYFPMSUJB-UHFFFAOYSA-O
MW294.37 g/mol
LogP0.08
Rot. Bonds6

About 1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate

1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate (PubChem CID 5204807) has the molecular formula C16H24NO4+ and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate
PubChem CID5204807
Molecular FormulaC16H24NO4+
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC(C)C[NH+]2CCOCC2)cc1
InChIInChI=1S/C16H23NO4/c1-13(12-17-7-9-20-10-8-17)21-16(18)11-14-3-5-15(19-2)6-4-14/h3-6,13H,7-12H2,1-2H3/p+1
InChIKeyHUJFTHYFPMSUJB-UHFFFAOYSA-O
XLogP0.08
TPSA49.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-ium-1-ylpropan-2-yl 2-(4-chlorophenyl)acetate
CID 3888774
1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate
CID 86053966
1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride
CID 44656541
13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
CID 7065404
hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride
CID 646573
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
2-(4-methoxyphenyl)acetic acid;oxolane
CID 67598100
4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148385
[(2S)-1-morpholin-4-ium-4-ylpropan-2-yl] 2,4-dichlorobenzoate
CID 6956935
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262
(2R)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol
CID 9322006
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705394

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate?
The IUPAC name of 1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate (CID 5204807) is 1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for 1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate?
The canonical SMILES for 1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OC(C)C[NH+]2CCOCC2)cc1.
What is the InChIKey of 1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate?
The InChIKey is HUJFTHYFPMSUJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23NO4/c1-13(12-17-7-9-20-10-8-17)21-16(18)11-14-3-5-15(19-2)6-4-14/h3-6,13H,7-12H2,1-2H3/p+1.
What are the key properties of 1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate?
1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate has a molecular weight of 294.37 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 5204807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).