1-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine

C26H27F3N2OS — CID 175407928

IUPAC1-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(CN2CCN(CC3OCC(c4ccccc4)c4ccsc43)CC2)cc1
InChIInChI=1S/C26H27F3N2OS/c27-26(28,29)21-8-6-19(7-9-21)16-30-11-13-31(14-12-30)17-24-25-22(10-15-33-25)23(18-32-24)20-4-2-1-3-5-20/h1-10,15,23-24H,11-14,16-18H2
InChIKeyINWQUDDZIRETDG-UHFFFAOYSA-N
MW472.58 g/mol
LogP5.79
Rot. Bonds5

About 1-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine

1-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 175407928) has the molecular formula C26H27F3N2OS and a molecular weight of 472.58 g/mol. Its IUPAC name is 1-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID175407928
Molecular FormulaC26H27F3N2OS
Molecular Weight472.58 g/mol
Exact Mass472.18
IUPAC Name1-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(CN2CCN(CC3OCC(c4ccccc4)c4ccsc43)CC2)cc1
InChIInChI=1S/C26H27F3N2OS/c27-26(28,29)21-8-6-19(7-9-21)16-30-11-13-31(14-12-30)17-24-25-22(10-15-33-25)23(18-32-24)20-4-2-1-3-5-20/h1-10,15,23-24H,11-14,16-18H2
InChIKeyINWQUDDZIRETDG-UHFFFAOYSA-N
XLogP5.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.58
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine 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 1-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 175407928) is 1-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1ccc(CN2CCN(CC3OCC(c4ccccc4)c4ccsc43)CC2)cc1.
What is the InChIKey of 1-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is INWQUDDZIRETDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2OS/c27-26(28,29)21-8-6-19(7-9-21)16-30-11-13-31(14-12-30)17-24-25-22(10-15-33-25)23(18-32-24)20-4-2-1-3-5-20/h1-10,15,23-24H,11-14,16-18H2.
What are the key properties of 1-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 472.58 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 175407928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).