3-morpholin-4-yl-1-phenyl-1-thiophen-2-ylpropan-1-ol

C17H21NO2S — CID 12624911

IUPAC3-morpholin-4-yl-1-phenyl-1-thiophen-2-ylpropan-1-ol
SMILESOC(CCN1CCOCC1)(c1ccccc1)c1cccs1
InChIInChI=1S/C17H21NO2S/c19-17(16-7-4-14-21-16,15-5-2-1-3-6-15)8-9-18-10-12-20-13-11-18/h1-7,14,19H,8-13H2
InChIKeyOHRLYBVVIVCIHE-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.71
Rot. Bonds5

About 3-morpholin-4-yl-1-phenyl-1-thiophen-2-ylpropan-1-ol

3-morpholin-4-yl-1-phenyl-1-thiophen-2-ylpropan-1-ol (PubChem CID 12624911) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-phenyl-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-morpholin-4-yl-1-phenyl-1-thiophen-2-ylpropan-1-ol
PubChem CID12624911
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name3-morpholin-4-yl-1-phenyl-1-thiophen-2-ylpropan-1-ol
SMILESOC(CCN1CCOCC1)(c1ccccc1)c1cccs1
InChIInChI=1S/C17H21NO2S/c19-17(16-7-4-14-21-16,15-5-2-1-3-6-15)8-9-18-10-12-20-13-11-18/h1-7,14,19H,8-13H2
InChIKeyOHRLYBVVIVCIHE-UHFFFAOYSA-N
XLogP2.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tiemonium Iodide
CID 72142
2-(1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol
CID 25167288
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
1-(2-Benzhydryloxy-ethyl)-4-(3-thiophen-2-yl-propyl)-piperazine
CID 10717041
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
10-methoxy-4-(1-methylpiperidin-4-yl)-4H-benzo[4.5]cyclohepta[1,2-b]thiophene-4-ol
CID 108389
Tiemonium
CID 5473
3-(Hydroxy-phenyl-thiophen-2-yl-methyl)-1-methyl-1-azonia-bicyclo[2.2.2]octane
CID 11958775

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-phenyl-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-morpholin-4-yl-1-phenyl-1-thiophen-2-ylpropan-1-ol (CID 12624911) is 3-morpholin-4-yl-1-phenyl-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-morpholin-4-yl-1-phenyl-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-morpholin-4-yl-1-phenyl-1-thiophen-2-ylpropan-1-ol is OC(CCN1CCOCC1)(c1ccccc1)c1cccs1.
What is the InChIKey of 3-morpholin-4-yl-1-phenyl-1-thiophen-2-ylpropan-1-ol?
The InChIKey is OHRLYBVVIVCIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c19-17(16-7-4-14-21-16,15-5-2-1-3-6-15)8-9-18-10-12-20-13-11-18/h1-7,14,19H,8-13H2.
What are the key properties of 3-morpholin-4-yl-1-phenyl-1-thiophen-2-ylpropan-1-ol?
3-morpholin-4-yl-1-phenyl-1-thiophen-2-ylpropan-1-ol has a molecular weight of 303.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-phenyl-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 12624911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).