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

C14H15F6N — CID 106778831

IUPAC4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(CC2CC(C(F)(F)F)CCN2)cc1
InChIInChI=1S/C14H15F6N/c15-13(16,17)10-3-1-9(2-4-10)7-12-8-11(5-6-21-12)14(18,19)20/h1-4,11-12,21H,5-8H2
InChIKeyGXYXPBFAVVREOM-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.18
Rot. Bonds2

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

4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 106778831) has the molecular formula C14H15F6N and a molecular weight of 311.27 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID106778831
Molecular FormulaC14H15F6N
Molecular Weight311.27 g/mol
Exact Mass311.11
IUPAC Name4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(CC2CC(C(F)(F)F)CCN2)cc1
InChIInChI=1S/C14H15F6N/c15-13(16,17)10-3-1-9(2-4-10)7-12-8-11(5-6-21-12)14(18,19)20/h1-4,11-12,21H,5-8H2
InChIKeyGXYXPBFAVVREOM-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine
CID 106778077
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
2-[(2R,4S)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanoic acid
CID 69066214
2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 140514504
2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine
CID 106778526
2-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine
CID 106777914
2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine
CID 106780431
2-(2-cyclopropylethyl)-4-(trifluoromethyl)piperidine
CID 106779886
3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
6-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-sulfonamide
CID 106778827
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride
CID 47002379

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine (CID 106778831) is 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine is FC(F)(F)c1ccc(CC2CC(C(F)(F)F)CCN2)cc1.
What is the InChIKey of 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is GXYXPBFAVVREOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6N/c15-13(16,17)10-3-1-9(2-4-10)7-12-8-11(5-6-21-12)14(18,19)20/h1-4,11-12,21H,5-8H2.
What are the key properties of 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 311.27 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 106778831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).