N-[(E)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline

C14H18F3N3 — CID 11808241

IUPACN-[(E)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline
SMILESFC(F)(F)/C(CN1CCCCC1)=N/Nc1ccccc1
InChIInChI=1S/C14H18F3N3/c15-14(16,17)13(11-20-9-5-2-6-10-20)19-18-12-7-3-1-4-8-12/h1,3-4,7-8,18H,2,5-6,9-11H2/b19-13+
InChIKeyOJJHIAJMNGPTAC-CPNJWEJPSA-N
MW285.31 g/mol
LogP3.50
Rot. Bonds4

About N-[(E)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline

N-[(E)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline (PubChem CID 11808241) has the molecular formula C14H18F3N3 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-[(E)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline.

Molecular Properties

Compound NameN-[(E)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline
PubChem CID11808241
Molecular FormulaC14H18F3N3
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC NameN-[(E)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline
SMILESFC(F)(F)/C(CN1CCCCC1)=N/Nc1ccccc1
InChIInChI=1S/C14H18F3N3/c15-14(16,17)13(11-20-9-5-2-6-10-20)19-18-12-7-3-1-4-8-12/h1,3-4,7-8,18H,2,5-6,9-11H2/b19-13+
InChIKeyOJJHIAJMNGPTAC-CPNJWEJPSA-N
XLogP3.50
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline 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 N-[(E)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline?
The IUPAC name of N-[(E)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline (CID 11808241) is N-[(E)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline.
What is the SMILES notation for N-[(E)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline?
The canonical SMILES for N-[(E)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline is FC(F)(F)/C(CN1CCCCC1)=N/Nc1ccccc1.
What is the InChIKey of N-[(E)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline?
The InChIKey is OJJHIAJMNGPTAC-CPNJWEJPSA-N. The full InChI is InChI=1S/C14H18F3N3/c15-14(16,17)13(11-20-9-5-2-6-10-20)19-18-12-7-3-1-4-8-12/h1,3-4,7-8,18H,2,5-6,9-11H2/b19-13+.
What are the key properties of N-[(E)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline?
N-[(E)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline has a molecular weight of 285.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline is sourced from PubChem (CID 11808241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).