4-diphenylphosphoryl-2,6-dimethylmorpholine

C18H22NO2P — CID 10567336

IUPAC4-diphenylphosphoryl-2,6-dimethylmorpholine
SMILESCC1CN(P(=O)(c2ccccc2)c2ccccc2)CC(C)O1
InChIInChI=1S/C18H22NO2P/c1-15-13-19(14-16(2)21-15)22(20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
InChIKeyIHCMXKATLMMNPR-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.02
Rot. Bonds3

About 4-diphenylphosphoryl-2,6-dimethylmorpholine

4-diphenylphosphoryl-2,6-dimethylmorpholine (PubChem CID 10567336) has the molecular formula C18H22NO2P and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-diphenylphosphoryl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-diphenylphosphoryl-2,6-dimethylmorpholine
PubChem CID10567336
Molecular FormulaC18H22NO2P
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name4-diphenylphosphoryl-2,6-dimethylmorpholine
SMILESCC1CN(P(=O)(c2ccccc2)c2ccccc2)CC(C)O1
InChIInChI=1S/C18H22NO2P/c1-15-13-19(14-16(2)21-15)22(20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
InChIKeyIHCMXKATLMMNPR-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-diphenylphosphoryl-4-ethylpiperazine
CID 20795265
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
CID 3274124
phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate
CID 95358432
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
phenyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate
CID 95358431
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 47114338
N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide
CID 886437
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenylacetamide
CID 92787390
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
(2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 949390

Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphoryl-2,6-dimethylmorpholine?
The IUPAC name of 4-diphenylphosphoryl-2,6-dimethylmorpholine (CID 10567336) is 4-diphenylphosphoryl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-diphenylphosphoryl-2,6-dimethylmorpholine?
The canonical SMILES for 4-diphenylphosphoryl-2,6-dimethylmorpholine is CC1CN(P(=O)(c2ccccc2)c2ccccc2)CC(C)O1.
What is the InChIKey of 4-diphenylphosphoryl-2,6-dimethylmorpholine?
The InChIKey is IHCMXKATLMMNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NO2P/c1-15-13-19(14-16(2)21-15)22(20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of 4-diphenylphosphoryl-2,6-dimethylmorpholine?
4-diphenylphosphoryl-2,6-dimethylmorpholine has a molecular weight of 315.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphoryl-2,6-dimethylmorpholine is sourced from PubChem (CID 10567336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).