2-phenyl-3-[[5-propyl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine

C22H27F3N2O — CID 67848360

IUPAC2-phenyl-3-[[5-propyl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine
SMILESCCCc1ccc(OC(F)(F)F)c(CC2CCCN(N)C2c2ccccc2)c1
InChIInChI=1S/C22H27F3N2O/c1-2-7-16-11-12-20(28-22(23,24)25)19(14-16)15-18-10-6-13-27(26)21(18)17-8-4-3-5-9-17/h3-5,8-9,11-12,14,18,21H,2,6-7,10,13,15,26H2,1H3
InChIKeyCNOXNZDGPLCCLI-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.41
Rot. Bonds6

About 2-phenyl-3-[[5-propyl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine

2-phenyl-3-[[5-propyl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine (PubChem CID 67848360) has the molecular formula C22H27F3N2O and a molecular weight of 392.47 g/mol. Its IUPAC name is 2-phenyl-3-[[5-propyl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine.

Molecular Properties

Compound Name2-phenyl-3-[[5-propyl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine
PubChem CID67848360
Molecular FormulaC22H27F3N2O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name2-phenyl-3-[[5-propyl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine
SMILESCCCc1ccc(OC(F)(F)F)c(CC2CCCN(N)C2c2ccccc2)c1
InChIInChI=1S/C22H27F3N2O/c1-2-7-16-11-12-20(28-22(23,24)25)19(14-16)15-18-10-6-13-27(26)21(18)17-8-4-3-5-9-17/h3-5,8-9,11-12,14,18,21H,2,6-7,10,13,15,26H2,1H3
InChIKeyCNOXNZDGPLCCLI-UHFFFAOYSA-N
XLogP5.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 2-phenyl-3-[[5-propyl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[[5-propyl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine?
The IUPAC name of 2-phenyl-3-[[5-propyl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine (CID 67848360) is 2-phenyl-3-[[5-propyl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine.
What is the SMILES notation for 2-phenyl-3-[[5-propyl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine?
The canonical SMILES for 2-phenyl-3-[[5-propyl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine is CCCc1ccc(OC(F)(F)F)c(CC2CCCN(N)C2c2ccccc2)c1.
What is the InChIKey of 2-phenyl-3-[[5-propyl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine?
The InChIKey is CNOXNZDGPLCCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2O/c1-2-7-16-11-12-20(28-22(23,24)25)19(14-16)15-18-10-6-13-27(26)21(18)17-8-4-3-5-9-17/h3-5,8-9,11-12,14,18,21H,2,6-7,10,13,15,26H2,1H3.
What are the key properties of 2-phenyl-3-[[5-propyl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine?
2-phenyl-3-[[5-propyl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine has a molecular weight of 392.47 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[[5-propyl-2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine is sourced from PubChem (CID 67848360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).