3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol

C20H26NO2+ — CID 24840356

IUPAC3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol
SMILESC[N+]1(CCC(O)(c2ccccc2)c2ccccc2)CCOCC1
InChIInChI=1S/C20H26NO2/c1-21(14-16-23-17-15-21)13-12-20(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,22H,12-17H2,1H3/q+1
InChIKeyHTJGQQAPLHBWCK-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.79
Rot. Bonds5

About 3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol

3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol (PubChem CID 24840356) has the molecular formula C20H26NO2+ and a molecular weight of 312.43 g/mol. Its IUPAC name is 3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol.

Molecular Properties

Compound Name3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol
PubChem CID24840356
Molecular FormulaC20H26NO2+
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC Name3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol
SMILESC[N+]1(CCC(O)(c2ccccc2)c2ccccc2)CCOCC1
InChIInChI=1S/C20H26NO2/c1-21(14-16-23-17-15-21)13-12-20(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,22H,12-17H2,1H3/q+1
InChIKeyHTJGQQAPLHBWCK-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol)
CID 139194210
1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 22514
4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide iodide
CID 3088093
1-(4-chlorophenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 4072683
N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide
CID 3030672
(1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 7128599
1-(4-methylmorpholin-4-ium-4-yl)-3-phenoxypropan-2-ol
CID 23937938
4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenylpent-3-enenitrile
CID 134105313
1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol
CID 79134639
4-hexyl-4-methylmorpholin-4-ium hydroxide
CID 15768567
2-hydroxy-2,2-diphenylacetate;2-(1-methylpiperidin-1-ium-1-yl)ethanol;hydroiodide
CID 21126788
2-iodo-1,1-diphenylethanol
CID 11738821

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol?
The IUPAC name of 3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol (CID 24840356) is 3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol.
What is the SMILES notation for 3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol?
The canonical SMILES for 3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol is C[N+]1(CCC(O)(c2ccccc2)c2ccccc2)CCOCC1.
What is the InChIKey of 3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol?
The InChIKey is HTJGQQAPLHBWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26NO2/c1-21(14-16-23-17-15-21)13-12-20(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,22H,12-17H2,1H3/q+1.
What are the key properties of 3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol?
3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol has a molecular weight of 312.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol is sourced from PubChem (CID 24840356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).