1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine

C19H20F3NOS — CID 1032802

IUPAC1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine
SMILESCN1CCC(Oc2ccccc2Sc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H20F3NOS/c1-23-12-10-14(11-13-23)24-16-7-3-5-9-18(16)25-17-8-4-2-6-15(17)19(20,21)22/h2-9,14H,10-13H2,1H3
InChIKeyDPBGOHFPUVYOPM-UHFFFAOYSA-N
MW367.44 g/mol
LogP5.33
Rot. Bonds4

About 1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine

1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine (PubChem CID 1032802) has the molecular formula C19H20F3NOS and a molecular weight of 367.44 g/mol. Its IUPAC name is 1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine.

Molecular Properties

Compound Name1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine
PubChem CID1032802
Molecular FormulaC19H20F3NOS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC Name1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine
SMILESCN1CCC(Oc2ccccc2Sc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H20F3NOS/c1-23-12-10-14(11-13-23)24-16-7-3-5-9-18(16)25-17-8-4-2-6-15(17)19(20,21)22/h2-9,14H,10-13H2,1H3
InChIKeyDPBGOHFPUVYOPM-UHFFFAOYSA-N
XLogP5.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.44
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]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 1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine?
The IUPAC name of 1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine (CID 1032802) is 1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine.
What is the SMILES notation for 1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine?
The canonical SMILES for 1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine is CN1CCC(Oc2ccccc2Sc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine?
The InChIKey is DPBGOHFPUVYOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NOS/c1-23-12-10-14(11-13-23)24-16-7-3-5-9-18(16)25-17-8-4-2-6-15(17)19(20,21)22/h2-9,14H,10-13H2,1H3.
What are the key properties of 1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine?
1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine has a molecular weight of 367.44 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[2-(trifluoromethyl)phenyl]sulfanylphenoxy]piperidine is sourced from PubChem (CID 1032802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).