[1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium

C16H35N3O3P+ — CID 161302078

IUPAC[1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium
SMILESCC1CN(C)CC(COP(C)(=O)N2CCC([N+](C)(C)C)CC2)O1
InChIInChI=1S/C16H35N3O3P/c1-14-11-17(2)12-16(22-14)13-21-23(6,20)18-9-7-15(8-10-18)19(3,4)5/h14-16H,7-13H2,1-6H3/q+1
InChIKeyAKZPZYUUEOFDOB-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.72
Rot. Bonds5

About [1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium

[1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium (PubChem CID 161302078) has the molecular formula C16H35N3O3P+ and a molecular weight of 348.45 g/mol. Its IUPAC name is [1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium.

Molecular Properties

Compound Name[1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium
PubChem CID161302078
Molecular FormulaC16H35N3O3P+
Molecular Weight348.45 g/mol
Exact Mass348.24
IUPAC Name[1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium
SMILESCC1CN(C)CC(COP(C)(=O)N2CCC([N+](C)(C)C)CC2)O1
InChIInChI=1S/C16H35N3O3P/c1-14-11-17(2)12-16(22-14)13-21-23(6,20)18-9-7-15(8-10-18)19(3,4)5/h14-16H,7-13H2,1-6H3/q+1
InChIKeyAKZPZYUUEOFDOB-UHFFFAOYSA-N
XLogP1.72
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl(methyl)phosphoryl]oxymethyl]-4,6-dimethylmorpholine
CID 158824777
N-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S)-4-[[(2S,6R)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4,6-dimethylmorpholin-2-yl]methoxy-methylphosphoryl]-6-tritiomorpholin-2-yl]methoxy-methylphosphoryl]-6-methylmorpholin-2-yl]methoxy-methylphosphoryl]-6-tritiomorpholin-2-yl]methoxy-methylphosphoryl]morpholin-6-id-2-yl]methoxy-methylphosphoryl]-6-methylmorpholin-2-yl]methoxy-methylphosphoryl]-6-methylmorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine;yttrium
CID 160658096
CID 158444799
CID 158444799
N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine
CID 135178519
ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S)-4,6-dimethylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate
CID 155701015
CID 158857904
CID 158857904
2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane
CID 20770203
ethane;(2S,6R)-2,4,6-trimethylmorpholine
CID 142013694
hydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane
CID 159762198
[4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol
CID 22969304
N-[[2-(methoxymethyl)morpholin-4-yl]-[(4-methylmorpholin-2-yl)methoxy]phosphoryl]-N-methylmethanamine
CID 10383294
1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine
CID 146602182

Frequently Asked Questions

What is the IUPAC name of [1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium?
The IUPAC name of [1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium (CID 161302078) is [1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium.
What is the SMILES notation for [1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium?
The canonical SMILES for [1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium is CC1CN(C)CC(COP(C)(=O)N2CCC([N+](C)(C)C)CC2)O1.
What is the InChIKey of [1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium?
The InChIKey is AKZPZYUUEOFDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O3P/c1-14-11-17(2)12-16(22-14)13-21-23(6,20)18-9-7-15(8-10-18)19(3,4)5/h14-16H,7-13H2,1-6H3/q+1.
What are the key properties of [1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium?
[1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium has a molecular weight of 348.45 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium is sourced from PubChem (CID 161302078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).