(2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium

C23H38N4O4P+ — CID 3782963

IUPAC(2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium
SMILESC[P+](c1ccc(N2CCOCC2)cc1N1CCOCC1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C23H38N4O4P/c1-32(26-8-16-30-17-9-26,27-10-18-31-19-11-27)23-3-2-21(24-4-12-28-13-5-24)20-22(23)25-6-14-29-15-7-25/h2-3,20H,4-19H2,1H3/q+1
InChIKeyLSLBQDAFOHEAJN-UHFFFAOYSA-N
MW465.56 g/mol
LogP1.13
Rot. Bonds5

About (2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium

(2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium (PubChem CID 3782963) has the molecular formula C23H38N4O4P+ and a molecular weight of 465.56 g/mol. Its IUPAC name is (2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium.

Molecular Properties

Compound Name(2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium
PubChem CID3782963
Molecular FormulaC23H38N4O4P+
Molecular Weight465.56 g/mol
Exact Mass465.26
IUPAC Name(2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium
SMILESC[P+](c1ccc(N2CCOCC2)cc1N1CCOCC1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C23H38N4O4P/c1-32(26-8-16-30-17-9-26,27-10-18-31-19-11-27)23-3-2-21(24-4-12-28-13-5-24)20-22(23)25-6-14-29-15-7-25/h2-3,20H,4-19H2,1H3/q+1
InChIKeyLSLBQDAFOHEAJN-UHFFFAOYSA-N
XLogP1.13
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium iodide
CID 17389152
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
4-(3-morpholin-4-yl-4-nitrosophenyl)morpholine
CID 141050055
(1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 124563582
4-morpholin-4-yl-2-propan-2-ylaniline
CID 91671939
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
4-(3-propan-2-ylbenzotriazol-5-yl)morpholine
CID 178059257
(1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941068
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
2-(3-morpholin-4-ylphenyl)propan-2-amine
CID 96607858
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine
CID 114068845

Frequently Asked Questions

What is the IUPAC name of (2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium?
The IUPAC name of (2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium (CID 3782963) is (2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium.
What is the SMILES notation for (2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium?
The canonical SMILES for (2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium is C[P+](c1ccc(N2CCOCC2)cc1N1CCOCC1)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of (2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium?
The InChIKey is LSLBQDAFOHEAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O4P/c1-32(26-8-16-30-17-9-26,27-10-18-31-19-11-27)23-3-2-21(24-4-12-28-13-5-24)20-22(23)25-6-14-29-15-7-25/h2-3,20H,4-19H2,1H3/q+1.
What are the key properties of (2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium?
(2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium has a molecular weight of 465.56 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium is sourced from PubChem (CID 3782963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).