2-piperidin-1-yl-5-(trifluoromethyl)aniline

C12H15F3N2 — CID 694756

IUPAC2-piperidin-1-yl-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1N1CCCCC1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-4-5-11(10(16)8-9)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,16H2
InChIKeyBERRRZOJDANPHE-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.28
Rot. Bonds1

About 2-piperidin-1-yl-5-(trifluoromethyl)aniline

2-piperidin-1-yl-5-(trifluoromethyl)aniline (PubChem CID 694756) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-piperidin-1-yl-5-(trifluoromethyl)aniline
PubChem CID694756
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name2-piperidin-1-yl-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1N1CCCCC1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-4-5-11(10(16)8-9)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,16H2
InChIKeyBERRRZOJDANPHE-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-piperidin-1-yl-5-(trifluoromethyl)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 2-piperidin-1-yl-5-(trifluoromethyl)aniline?
The IUPAC name of 2-piperidin-1-yl-5-(trifluoromethyl)aniline (CID 694756) is 2-piperidin-1-yl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-piperidin-1-yl-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-piperidin-1-yl-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-5-(trifluoromethyl)aniline?
The InChIKey is BERRRZOJDANPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)9-4-5-11(10(16)8-9)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,16H2.
What are the key properties of 2-piperidin-1-yl-5-(trifluoromethyl)aniline?
2-piperidin-1-yl-5-(trifluoromethyl)aniline has a molecular weight of 244.26 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 694756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).