[1-morpholin-4-yl-2-(trimethylazaniumyl)ethyl] hydrogen phosphate

C9H21N2O5P — CID 22756496

IUPAC[1-morpholin-4-yl-2-(trimethylazaniumyl)ethyl] hydrogen phosphate
SMILESC[N+](C)(C)CC(OP(=O)([O-])O)N1CCOCC1
InChIInChI=1S/C9H21N2O5P/c1-11(2,3)8-9(16-17(12,13)14)10-4-6-15-7-5-10/h9H,4-8H2,1-3H3,(H-,12,13,14)
InChIKeyRAFSAKVOKGBERT-UHFFFAOYSA-N
MW268.25 g/mol
LogP-1.17
Rot. Bonds5

About [1-morpholin-4-yl-2-(trimethylazaniumyl)ethyl] hydrogen phosphate

[1-morpholin-4-yl-2-(trimethylazaniumyl)ethyl] hydrogen phosphate (PubChem CID 22756496) has the molecular formula C9H21N2O5P and a molecular weight of 268.25 g/mol. Its IUPAC name is [1-morpholin-4-yl-2-(trimethylazaniumyl)ethyl] hydrogen phosphate.

Molecular Properties

Compound Name[1-morpholin-4-yl-2-(trimethylazaniumyl)ethyl] hydrogen phosphate
PubChem CID22756496
Molecular FormulaC9H21N2O5P
Molecular Weight268.25 g/mol
Exact Mass268.12
IUPAC Name[1-morpholin-4-yl-2-(trimethylazaniumyl)ethyl] hydrogen phosphate
SMILESC[N+](C)(C)CC(OP(=O)([O-])O)N1CCOCC1
InChIInChI=1S/C9H21N2O5P/c1-11(2,3)8-9(16-17(12,13)14)10-4-6-15-7-5-10/h9H,4-8H2,1-3H3,(H-,12,13,14)
InChIKeyRAFSAKVOKGBERT-UHFFFAOYSA-N
XLogP-1.17
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-2-morpholin-4-ylethanol
CID 155797423
1-(trimethylazaniumyl)icosan-2-yl hydrogen phosphate
CID 87135092
3-methyl-2-morpholin-4-ylpentanoic acid
CID 61319548
4-aminooxy-4-morpholin-4-ylbutan-2-ol
CID 67040066
[[bis(trimethylsilyloxy)phosphoryl-morpholin-4-ylmethyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane
CID 102498311
2-morpholin-4-yl-2-(3-morpholin-4-ylpropoxy)ethanol
CID 57271604
1-morpholin-4-ylbutyl 2-methylbutanoate
CID 71178180
dimorpholin-4-ylphosphinic acid
CID 4193589
morpholin-4-yl dihydrogen phosphate
CID 57078331
tert-butyl (2S)-2-morpholin-4-ylbutanoate
CID 164532351
2-morpholin-4-ylpropyl 2-methylpropanoate
CID 131966450
4-(1,2-dinitroethyl)morpholine
CID 134974239

Frequently Asked Questions

What is the IUPAC name of [1-morpholin-4-yl-2-(trimethylazaniumyl)ethyl] hydrogen phosphate?
The IUPAC name of [1-morpholin-4-yl-2-(trimethylazaniumyl)ethyl] hydrogen phosphate (CID 22756496) is [1-morpholin-4-yl-2-(trimethylazaniumyl)ethyl] hydrogen phosphate.
What is the SMILES notation for [1-morpholin-4-yl-2-(trimethylazaniumyl)ethyl] hydrogen phosphate?
The canonical SMILES for [1-morpholin-4-yl-2-(trimethylazaniumyl)ethyl] hydrogen phosphate is C[N+](C)(C)CC(OP(=O)([O-])O)N1CCOCC1.
What is the InChIKey of [1-morpholin-4-yl-2-(trimethylazaniumyl)ethyl] hydrogen phosphate?
The InChIKey is RAFSAKVOKGBERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2O5P/c1-11(2,3)8-9(16-17(12,13)14)10-4-6-15-7-5-10/h9H,4-8H2,1-3H3,(H-,12,13,14).
What are the key properties of [1-morpholin-4-yl-2-(trimethylazaniumyl)ethyl] hydrogen phosphate?
[1-morpholin-4-yl-2-(trimethylazaniumyl)ethyl] hydrogen phosphate has a molecular weight of 268.25 g/mol, XLogP of -1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-morpholin-4-yl-2-(trimethylazaniumyl)ethyl] hydrogen phosphate is sourced from PubChem (CID 22756496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).