2-[[4-phenyl-2-(trifluoromethyl)phenyl]methylidene]piperidine

C19H18F3N — CID 67724153

IUPAC2-[[4-phenyl-2-(trifluoromethyl)phenyl]methylidene]piperidine
SMILESFC(F)(F)c1cc(-c2ccccc2)ccc1C=C1CCCCN1
InChIInChI=1S/C19H18F3N/c20-19(21,22)18-13-15(14-6-2-1-3-7-14)9-10-16(18)12-17-8-4-5-11-23-17/h1-3,6-7,9-10,12-13,23H,4-5,8,11H2
InChIKeyOVSSEEJCVCSVGZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP5.49
Rot. Bonds2

About 2-[[4-phenyl-2-(trifluoromethyl)phenyl]methylidene]piperidine

2-[[4-phenyl-2-(trifluoromethyl)phenyl]methylidene]piperidine (PubChem CID 67724153) has the molecular formula C19H18F3N and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[[4-phenyl-2-(trifluoromethyl)phenyl]methylidene]piperidine.

Molecular Properties

Compound Name2-[[4-phenyl-2-(trifluoromethyl)phenyl]methylidene]piperidine
PubChem CID67724153
Molecular FormulaC19H18F3N
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[[4-phenyl-2-(trifluoromethyl)phenyl]methylidene]piperidine
SMILESFC(F)(F)c1cc(-c2ccccc2)ccc1C=C1CCCCN1
InChIInChI=1S/C19H18F3N/c20-19(21,22)18-13-15(14-6-2-1-3-7-14)9-10-16(18)12-17-8-4-5-11-23-17/h1-3,6-7,9-10,12-13,23H,4-5,8,11H2
InChIKeyOVSSEEJCVCSVGZ-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.35
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-phenyl-2-(trifluoromethyl)phenyl]methylidene]piperidine?
The IUPAC name of 2-[[4-phenyl-2-(trifluoromethyl)phenyl]methylidene]piperidine (CID 67724153) is 2-[[4-phenyl-2-(trifluoromethyl)phenyl]methylidene]piperidine.
What is the SMILES notation for 2-[[4-phenyl-2-(trifluoromethyl)phenyl]methylidene]piperidine?
The canonical SMILES for 2-[[4-phenyl-2-(trifluoromethyl)phenyl]methylidene]piperidine is FC(F)(F)c1cc(-c2ccccc2)ccc1C=C1CCCCN1.
What is the InChIKey of 2-[[4-phenyl-2-(trifluoromethyl)phenyl]methylidene]piperidine?
The InChIKey is OVSSEEJCVCSVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N/c20-19(21,22)18-13-15(14-6-2-1-3-7-14)9-10-16(18)12-17-8-4-5-11-23-17/h1-3,6-7,9-10,12-13,23H,4-5,8,11H2.
What are the key properties of 2-[[4-phenyl-2-(trifluoromethyl)phenyl]methylidene]piperidine?
2-[[4-phenyl-2-(trifluoromethyl)phenyl]methylidene]piperidine has a molecular weight of 317.35 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-phenyl-2-(trifluoromethyl)phenyl]methylidene]piperidine is sourced from PubChem (CID 67724153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).