3-[4-(trifluoromethyl)phenyl]piperidine

C12H14F3N — CID 24904210

IUPAC3-[4-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C12H14F3N/c13-12(14,15)11-5-3-9(4-6-11)10-2-1-7-16-8-10/h3-6,10,16H,1-2,7-8H2
InChIKeyDPGBDWYHWVSZPK-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.17
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]piperidine

3-[4-(trifluoromethyl)phenyl]piperidine (PubChem CID 24904210) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]piperidine
PubChem CID24904210
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name3-[4-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C12H14F3N/c13-12(14,15)11-5-3-9(4-6-11)10-2-1-7-16-8-10/h3-6,10,16H,1-2,7-8H2
InChIKeyDPGBDWYHWVSZPK-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]piperidine (CID 24904210) is 3-[4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]piperidine is FC(F)(F)c1ccc(C2CCCNC2)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is DPGBDWYHWVSZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c13-12(14,15)11-5-3-9(4-6-11)10-2-1-7-16-8-10/h3-6,10,16H,1-2,7-8H2.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]piperidine?
3-[4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 229.25 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 24904210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).