4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine

C20H22F3N — CID 792368

IUPAC4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccccc1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H22F3N/c21-20(22,23)19-9-5-4-8-18(19)15-24-12-10-17(11-13-24)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyBRXZYKPOZIPNNI-UHFFFAOYSA-N
MW333.40 g/mol
LogP5.16
Rot. Bonds4

About 4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine

4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 792368) has the molecular formula C20H22F3N and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID792368
Molecular FormulaC20H22F3N
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccccc1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H22F3N/c21-20(22,23)19-9-5-4-8-18(19)15-24-12-10-17(11-13-24)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyBRXZYKPOZIPNNI-UHFFFAOYSA-N
XLogP5.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.40
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine (CID 792368) is 4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine is FC(F)(F)c1ccccc1CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is BRXZYKPOZIPNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N/c21-20(22,23)19-9-5-4-8-18(19)15-24-12-10-17(11-13-24)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2.
What are the key properties of 4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine?
4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 333.40 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 792368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).