4-(4-fluorophenyl)-1-[[(3S,4R)-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine

C20H25FN2S — CID 20694308

IUPAC4-(4-fluorophenyl)-1-[[(3S,4R)-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine
SMILESFc1ccc(C2CCN(C[C@@H]3CNC[C@H]3c3ccsc3)CC2)cc1
InChIInChI=1S/C20H25FN2S/c21-19-3-1-15(2-4-19)16-5-8-23(9-6-16)13-18-11-22-12-20(18)17-7-10-24-14-17/h1-4,7,10,14,16,18,20,22H,5-6,8-9,11-13H2/t18-,20-/m0/s1
InChIKeyLSCQGZBQCNJIOW-ICSRJNTNSA-N
MW344.50 g/mol
LogP4.07
Rot. Bonds4

About 4-(4-fluorophenyl)-1-[[(3S,4R)-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine

4-(4-fluorophenyl)-1-[[(3S,4R)-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine (PubChem CID 20694308) has the molecular formula C20H25FN2S and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[[(3S,4R)-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[[(3S,4R)-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine
PubChem CID20694308
Molecular FormulaC20H25FN2S
Molecular Weight344.50 g/mol
Exact Mass344.17
IUPAC Name4-(4-fluorophenyl)-1-[[(3S,4R)-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine
SMILESFc1ccc(C2CCN(C[C@@H]3CNC[C@H]3c3ccsc3)CC2)cc1
InChIInChI=1S/C20H25FN2S/c21-19-3-1-15(2-4-19)16-5-8-23(9-6-16)13-18-11-22-12-20(18)17-7-10-24-14-17/h1-4,7,10,14,16,18,20,22H,5-6,8-9,11-13H2/t18-,20-/m0/s1
InChIKeyLSCQGZBQCNJIOW-ICSRJNTNSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-1-[[(3S,4R)-4-thiophen-3-ylpyrrolidin-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-[[(3S,4R)-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine?
The IUPAC name of 4-(4-fluorophenyl)-1-[[(3S,4R)-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine (CID 20694308) is 4-(4-fluorophenyl)-1-[[(3S,4R)-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[[(3S,4R)-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine?
The canonical SMILES for 4-(4-fluorophenyl)-1-[[(3S,4R)-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine is Fc1ccc(C2CCN(C[C@@H]3CNC[C@H]3c3ccsc3)CC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[[(3S,4R)-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine?
The InChIKey is LSCQGZBQCNJIOW-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H25FN2S/c21-19-3-1-15(2-4-19)16-5-8-23(9-6-16)13-18-11-22-12-20(18)17-7-10-24-14-17/h1-4,7,10,14,16,18,20,22H,5-6,8-9,11-13H2/t18-,20-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-1-[[(3S,4R)-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine?
4-(4-fluorophenyl)-1-[[(3S,4R)-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine has a molecular weight of 344.50 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[[(3S,4R)-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine is sourced from PubChem (CID 20694308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).