1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)piperidine

C11H14F3NS — CID 126855036

IUPAC1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCN(Cc2cccs2)CC1
InChIInChI=1S/C11H14F3NS/c12-11(13,14)9-3-5-15(6-4-9)8-10-2-1-7-16-10/h1-2,7,9H,3-6,8H2
InChIKeyLBEHYLAVUFLJRB-UHFFFAOYSA-N
MW249.30 g/mol
LogP3.52
Rot. Bonds2

About 1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)piperidine

1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)piperidine (PubChem CID 126855036) has the molecular formula C11H14F3NS and a molecular weight of 249.30 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)piperidine
PubChem CID126855036
Molecular FormulaC11H14F3NS
Molecular Weight249.30 g/mol
Exact Mass249.08
IUPAC Name1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCN(Cc2cccs2)CC1
InChIInChI=1S/C11H14F3NS/c12-11(13,14)9-3-5-15(6-4-9)8-10-2-1-7-16-10/h1-2,7,9H,3-6,8H2
InChIKeyLBEHYLAVUFLJRB-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 53.52
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-(trifluoromethyl)piperidine?
The IUPAC name of 1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)piperidine (CID 126855036) is 1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)piperidine is FC(F)(F)C1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)piperidine?
The InChIKey is LBEHYLAVUFLJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NS/c12-11(13,14)9-3-5-15(6-4-9)8-10-2-1-7-16-10/h1-2,7,9H,3-6,8H2.
What are the key properties of 1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)piperidine?
1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)piperidine has a molecular weight of 249.30 g/mol, XLogP of 3.52, 2 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-(trifluoromethyl)piperidine is sourced from PubChem (CID 126855036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).