1-methyl-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine

C18H20F3NOS — CID 23184385

IUPAC1-methyl-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine
SMILESCN1CCC(c2cccs2)C(COc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H20F3NOS/c1-22-8-7-16(17-6-3-9-24-17)13(11-22)12-23-15-5-2-4-14(10-15)18(19,20)21/h2-6,9-10,13,16H,7-8,11-12H2,1H3
InChIKeyWNPMMDWAMJDGSY-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.88
Rot. Bonds4

About 1-methyl-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine

1-methyl-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine (PubChem CID 23184385) has the molecular formula C18H20F3NOS and a molecular weight of 355.43 g/mol. Its IUPAC name is 1-methyl-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine
PubChem CID23184385
Molecular FormulaC18H20F3NOS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC Name1-methyl-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine
SMILESCN1CCC(c2cccs2)C(COc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H20F3NOS/c1-22-8-7-16(17-6-3-9-24-17)13(11-22)12-23-15-5-2-4-14(10-15)18(19,20)21/h2-6,9-10,13,16H,7-8,11-12H2,1H3
InChIKeyWNPMMDWAMJDGSY-UHFFFAOYSA-N
XLogP4.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine?
The IUPAC name of 1-methyl-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine (CID 23184385) is 1-methyl-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine.
What is the SMILES notation for 1-methyl-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine?
The canonical SMILES for 1-methyl-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine is CN1CCC(c2cccs2)C(COc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-methyl-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine?
The InChIKey is WNPMMDWAMJDGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NOS/c1-22-8-7-16(17-6-3-9-24-17)13(11-22)12-23-15-5-2-4-14(10-15)18(19,20)21/h2-6,9-10,13,16H,7-8,11-12H2,1H3.
What are the key properties of 1-methyl-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine?
1-methyl-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine has a molecular weight of 355.43 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine is sourced from PubChem (CID 23184385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).