[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol

C15H20F3NOS — CID 60684797

IUPAC[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NOS/c16-15(17,18)12-4-3-6-14(10-12)21-9-8-19-7-2-1-5-13(19)11-20/h3-4,6,10,13,20H,1-2,5,7-9,11H2
InChIKeyLOQJMNIRNLESKZ-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.64
Rot. Bonds5

About [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol

[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol (PubChem CID 60684797) has the molecular formula C15H20F3NOS and a molecular weight of 319.39 g/mol. Its IUPAC name is [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol
PubChem CID60684797
Molecular FormulaC15H20F3NOS
Molecular Weight319.39 g/mol
Exact Mass319.12
IUPAC Name[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NOS/c16-15(17,18)12-4-3-6-14(10-12)21-9-8-19-7-2-1-5-13(19)11-20/h3-4,6,10,13,20H,1-2,5,7-9,11H2
InChIKeyLOQJMNIRNLESKZ-UHFFFAOYSA-N
XLogP3.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol 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-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol (CID 60684797) is [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol is OCC1CCCCN1CCSc1cccc(C(F)(F)F)c1.
What is the InChIKey of [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol?
The InChIKey is LOQJMNIRNLESKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NOS/c16-15(17,18)12-4-3-6-14(10-12)21-9-8-19-7-2-1-5-13(19)11-20/h3-4,6,10,13,20H,1-2,5,7-9,11H2.
What are the key properties of [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol?
[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol has a molecular weight of 319.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 60684797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).