2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine

C15H20F3N — CID 106778077

IUPAC2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine
SMILESCc1ccc(CC2CC(C(F)(F)F)CCN2)cc1C
InChIInChI=1S/C15H20F3N/c1-10-3-4-12(7-11(10)2)8-14-9-13(5-6-19-14)15(16,17)18/h3-4,7,13-14,19H,5-6,8-9H2,1-2H3
InChIKeyXVLZNVYNAKTXNG-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.78
Rot. Bonds2

About 2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine

2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine (PubChem CID 106778077) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine
PubChem CID106778077
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine
SMILESCc1ccc(CC2CC(C(F)(F)F)CCN2)cc1C
InChIInChI=1S/C15H20F3N/c1-10-3-4-12(7-11(10)2)8-14-9-13(5-6-19-14)15(16,17)18/h3-4,7,13-14,19H,5-6,8-9H2,1-2H3
InChIKeyXVLZNVYNAKTXNG-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-Benzylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine (CID 106778077) is 2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine is Cc1ccc(CC2CC(C(F)(F)F)CCN2)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine?
The InChIKey is XVLZNVYNAKTXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-10-3-4-12(7-11(10)2)8-14-9-13(5-6-19-14)15(16,17)18/h3-4,7,13-14,19H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine?
2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine has a molecular weight of 271.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 106778077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).