3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol

C20H22F3NO2S — CID 23975613

IUPAC3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol
SMILESOCCCC1=CC(c2cccs2)N(Cc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C20H22F3NO2S/c21-20(22,23)26-17-6-1-4-16(12-17)14-24-9-8-15(5-2-10-25)13-18(24)19-7-3-11-27-19/h1,3-4,6-7,11-13,18,25H,2,5,8-10,14H2
InChIKeyPQUCXFBIUHYLJV-UHFFFAOYSA-N
MW397.46 g/mol
LogP5.29
Rot. Bonds7

About 3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol

3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol (PubChem CID 23975613) has the molecular formula C20H22F3NO2S and a molecular weight of 397.46 g/mol. Its IUPAC name is 3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol
PubChem CID23975613
Molecular FormulaC20H22F3NO2S
Molecular Weight397.46 g/mol
Exact Mass397.13
IUPAC Name3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol
SMILESOCCCC1=CC(c2cccs2)N(Cc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C20H22F3NO2S/c21-20(22,23)26-17-6-1-4-16(12-17)14-24-9-8-15(5-2-10-25)13-18(24)19-7-3-11-27-19/h1,3-4,6-7,11-13,18,25H,2,5,8-10,14H2
InChIKeyPQUCXFBIUHYLJV-UHFFFAOYSA-N
XLogP5.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.46
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol?
The IUPAC name of 3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol (CID 23975613) is 3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol.
What is the SMILES notation for 3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol?
The canonical SMILES for 3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol is OCCCC1=CC(c2cccs2)N(Cc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol?
The InChIKey is PQUCXFBIUHYLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2S/c21-20(22,23)26-17-6-1-4-16(12-17)14-24-9-8-15(5-2-10-25)13-18(24)19-7-3-11-27-19/h1,3-4,6-7,11-13,18,25H,2,5,8-10,14H2.
What are the key properties of 3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol?
3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol has a molecular weight of 397.46 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol is sourced from PubChem (CID 23975613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).