3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol

C18H24NO2S+ — CID 5473

💊View drug profile → tiemonium
IUPAC3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol
SMILESC[N+]1(CCC(O)(c2ccccc2)c2cccs2)CCOCC1
InChIInChI=1S/C18H24NO2S/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16/h2-8,15,20H,9-14H2,1H3/q+1
InChIKeyHJDYAOBDPZQHOD-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.85
Rot. Bonds5

About 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol

3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol (PubChem CID 5473) has the molecular formula C18H24NO2S+ and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol
PubChem CID5473
Molecular FormulaC18H24NO2S+
Molecular Weight318.46 g/mol
Exact Mass318.15
IUPAC Name3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol
SMILESC[N+]1(CCC(O)(c2ccccc2)c2cccs2)CCOCC1
InChIInChI=1S/C18H24NO2S/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16/h2-8,15,20H,9-14H2,1H3/q+1
InChIKeyHJDYAOBDPZQHOD-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tiemonium Iodide
CID 72142
1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine
CID 25164276
3-(4-Thiophen-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol
CID 44331881
Tiemonium methosulfate
CID 151420
2-[4-(2-Thienyl)phenyl]-4-methylmorpholin-2-ol
CID 25108103
3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-1-thiophen-2-yl-propan-1-ol
CID 44278406
3-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-yl]-1-thiophen-2-yl-propan-1-ol
CID 44278407
4-Phenyl-1-(phenyl(thiophen-2-yl)methyl)piperidin-4-ol
CID 44426824
1-[(6R)-1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl]-N,N-dimethylmethanamine
CID 49798751
4-(1-Methyl-4-piperidinyl)-4,9-dihydrothieno[2,3-c][2]benzothiepin-4-ol
CID 9549099
4-(Diethylamino)-1-phenyl-1-(thiophen-2-yl)but-2-yn-1-ol
CID 120858
10-methoxy-4-(1-methylpiperidin-4-yl)-4H-benzo[4.5]cyclohepta[1,2-b]thiophene-4-ol
CID 108389

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol (CID 5473) is 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol is C[N+]1(CCC(O)(c2ccccc2)c2cccs2)CCOCC1.
What is the InChIKey of 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol?
The InChIKey is HJDYAOBDPZQHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NO2S/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16/h2-8,15,20H,9-14H2,1H3/q+1.
What are the key properties of 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol?
3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol has a molecular weight of 318.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 5473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).