3-[5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol

C19H20FNOS — CID 131925060

IUPAC3-[5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1csc(CN2CCCCC2c2cccc(F)c2)c1
InChIInChI=1S/C19H20FNOS/c20-17-7-3-6-16(12-17)19-8-1-2-9-21(19)13-18-11-15(14-23-18)5-4-10-22/h3,6-7,11-12,14,19,22H,1-2,8-10,13H2
InChIKeyFMPTWLGRIQTJFO-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.96
Rot. Bonds3

About 3-[5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol

3-[5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 131925060) has the molecular formula C19H20FNOS and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-[5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
PubChem CID131925060
Molecular FormulaC19H20FNOS
Molecular Weight329.44 g/mol
Exact Mass329.12
IUPAC Name3-[5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1csc(CN2CCCCC2c2cccc(F)c2)c1
InChIInChI=1S/C19H20FNOS/c20-17-7-3-6-16(12-17)19-8-1-2-9-21(19)13-18-11-15(14-23-18)5-4-10-22/h3,6-7,11-12,14,19,22H,1-2,8-10,13H2
InChIKeyFMPTWLGRIQTJFO-UHFFFAOYSA-N
XLogP3.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-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-[5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol (CID 131925060) is 3-[5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol is OCC#Cc1csc(CN2CCCCC2c2cccc(F)c2)c1.
What is the InChIKey of 3-[5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is FMPTWLGRIQTJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNOS/c20-17-7-3-6-16(12-17)19-8-1-2-9-21(19)13-18-11-15(14-23-18)5-4-10-22/h3,6-7,11-12,14,19,22H,1-2,8-10,13H2.
What are the key properties of 3-[5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
3-[5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 329.44 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 131925060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).