1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol

C14H18F3NOS — CID 60670280

IUPAC1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol
SMILESOC1CCN(CCSc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)11-2-1-3-13(10-11)20-9-8-18-6-4-12(19)5-7-18/h1-3,10,12,19H,4-9H2
InChIKeyXLJLOWKMVNUZPR-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.25
Rot. Bonds4

About 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol

1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol (PubChem CID 60670280) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol
PubChem CID60670280
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol
SMILESOC1CCN(CCSc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)11-2-1-3-13(10-11)20-9-8-18-6-4-12(19)5-7-18/h1-3,10,12,19H,4-9H2
InChIKeyXLJLOWKMVNUZPR-UHFFFAOYSA-N
XLogP3.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-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 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol (CID 60670280) is 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol is OC1CCN(CCSc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol?
The InChIKey is XLJLOWKMVNUZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c15-14(16,17)11-2-1-3-13(10-11)20-9-8-18-6-4-12(19)5-7-18/h1-3,10,12,19H,4-9H2.
What are the key properties of 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol?
1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol has a molecular weight of 305.37 g/mol, XLogP of 3.25, 4 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-4-ol is sourced from PubChem (CID 60670280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).