4-(4-fluorophenyl)-1-[[4-thiophen-3-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidine

C28H30F4N2S — CID 18364741

IUPAC4-(4-fluorophenyl)-1-[[4-thiophen-3-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidine
SMILESFc1ccc(C2CCN(CC3CN(Cc4ccc(C(F)(F)F)cc4)CC3c3ccsc3)CC2)cc1
InChIInChI=1S/C28H30F4N2S/c29-26-7-3-21(4-8-26)22-9-12-33(13-10-22)16-24-17-34(18-27(24)23-11-14-35-19-23)15-20-1-5-25(6-2-20)28(30,31)32/h1-8,11,14,19,22,24,27H,9-10,12-13,15-18H2
InChIKeyBJVUIRPJTHDOLG-UHFFFAOYSA-N
MW502.62 g/mol
LogP7.00
Rot. Bonds6

About 4-(4-fluorophenyl)-1-[[4-thiophen-3-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidine

4-(4-fluorophenyl)-1-[[4-thiophen-3-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidine (PubChem CID 18364741) has the molecular formula C28H30F4N2S and a molecular weight of 502.62 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[[4-thiophen-3-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[[4-thiophen-3-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidine
PubChem CID18364741
Molecular FormulaC28H30F4N2S
Molecular Weight502.62 g/mol
Exact Mass502.21
IUPAC Name4-(4-fluorophenyl)-1-[[4-thiophen-3-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidine
SMILESFc1ccc(C2CCN(CC3CN(Cc4ccc(C(F)(F)F)cc4)CC3c3ccsc3)CC2)cc1
InChIInChI=1S/C28H30F4N2S/c29-26-7-3-21(4-8-26)22-9-12-33(13-10-22)16-24-17-34(18-27(24)23-11-14-35-19-23)15-20-1-5-25(6-2-20)28(30,31)32/h1-8,11,14,19,22,24,27H,9-10,12-13,15-18H2
InChIKeyBJVUIRPJTHDOLG-UHFFFAOYSA-N
XLogP7.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-1-[[4-thiophen-3-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidine 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 4-(4-fluorophenyl)-1-[[4-thiophen-3-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidine?
The IUPAC name of 4-(4-fluorophenyl)-1-[[4-thiophen-3-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidine (CID 18364741) is 4-(4-fluorophenyl)-1-[[4-thiophen-3-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[[4-thiophen-3-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidine?
The canonical SMILES for 4-(4-fluorophenyl)-1-[[4-thiophen-3-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidine is Fc1ccc(C2CCN(CC3CN(Cc4ccc(C(F)(F)F)cc4)CC3c3ccsc3)CC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[[4-thiophen-3-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidine?
The InChIKey is BJVUIRPJTHDOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F4N2S/c29-26-7-3-21(4-8-26)22-9-12-33(13-10-22)16-24-17-34(18-27(24)23-11-14-35-19-23)15-20-1-5-25(6-2-20)28(30,31)32/h1-8,11,14,19,22,24,27H,9-10,12-13,15-18H2.
What are the key properties of 4-(4-fluorophenyl)-1-[[4-thiophen-3-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidine?
4-(4-fluorophenyl)-1-[[4-thiophen-3-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidine has a molecular weight of 502.62 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[[4-thiophen-3-yl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidine is sourced from PubChem (CID 18364741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).