1-benzyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C20H23F3N2 — CID 784315

IUPAC1-benzyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESFC(F)(F)c1cccc(CNC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H23F3N2/c21-20(22,23)18-8-4-7-17(13-18)14-24-19-9-11-25(12-10-19)15-16-5-2-1-3-6-16/h1-8,13,19,24H,9-12,14-15H2
InChIKeyZCZCAJIXYAHDAP-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.46
Rot. Bonds5

About 1-benzyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

1-benzyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 784315) has the molecular formula C20H23F3N2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-benzyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID784315
Molecular FormulaC20H23F3N2
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name1-benzyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESFC(F)(F)c1cccc(CNC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H23F3N2/c21-20(22,23)18-8-4-7-17(13-18)14-24-19-9-11-25(12-10-19)15-16-5-2-1-3-6-16/h1-8,13,19,24H,9-12,14-15H2
InChIKeyZCZCAJIXYAHDAP-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 784315) is 1-benzyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is FC(F)(F)c1cccc(CNC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-benzyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is ZCZCAJIXYAHDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2/c21-20(22,23)18-8-4-7-17(13-18)14-24-19-9-11-25(12-10-19)15-16-5-2-1-3-6-16/h1-8,13,19,24H,9-12,14-15H2.
What are the key properties of 1-benzyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
1-benzyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 348.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 784315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).