1-(thiophen-2-ylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine

C19H22F3NS — CID 46089344

IUPAC1-(thiophen-2-ylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESFC(F)(F)c1ccc(CCC2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C19H22F3NS/c20-19(21,22)17-7-5-15(6-8-17)3-4-16-9-11-23(12-10-16)14-18-2-1-13-24-18/h1-2,5-8,13,16H,3-4,9-12,14H2
InChIKeyWNKHBBDZMBBLNC-UHFFFAOYSA-N
MW353.45 g/mol
LogP5.61
Rot. Bonds5

About 1-(thiophen-2-ylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine

1-(thiophen-2-ylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine (PubChem CID 46089344) has the molecular formula C19H22F3NS and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine
PubChem CID46089344
Molecular FormulaC19H22F3NS
Molecular Weight353.45 g/mol
Exact Mass353.14
IUPAC Name1-(thiophen-2-ylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESFC(F)(F)c1ccc(CCC2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C19H22F3NS/c20-19(21,22)17-7-5-15(6-8-17)3-4-16-9-11-23(12-10-16)14-18-2-1-13-24-18/h1-2,5-8,13,16H,3-4,9-12,14H2
InChIKeyWNKHBBDZMBBLNC-UHFFFAOYSA-N
XLogP5.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.45
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine?
The IUPAC name of 1-(thiophen-2-ylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine (CID 46089344) is 1-(thiophen-2-ylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine?
The canonical SMILES for 1-(thiophen-2-ylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine is FC(F)(F)c1ccc(CCC2CCN(Cc3cccs3)CC2)cc1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine?
The InChIKey is WNKHBBDZMBBLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NS/c20-19(21,22)17-7-5-15(6-8-17)3-4-16-9-11-23(12-10-16)14-18-2-1-13-24-18/h1-2,5-8,13,16H,3-4,9-12,14H2.
What are the key properties of 1-(thiophen-2-ylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine?
1-(thiophen-2-ylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine has a molecular weight of 353.45 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine is sourced from PubChem (CID 46089344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).