N-(2-piperidin-2-ylethyl)-3,5-bis(trifluoromethyl)aniline

C15H18F6N2 — CID 2776455

IUPACN-(2-piperidin-2-ylethyl)-3,5-bis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCCC2CCCCN2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H18F6N2/c16-14(17,18)10-7-11(15(19,20)21)9-13(8-10)23-6-4-12-3-1-2-5-22-12/h7-9,12,22-23H,1-6H2
InChIKeyUMLGDRGOZSHCMY-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.67
Rot. Bonds4

About N-(2-piperidin-2-ylethyl)-3,5-bis(trifluoromethyl)aniline

N-(2-piperidin-2-ylethyl)-3,5-bis(trifluoromethyl)aniline (PubChem CID 2776455) has the molecular formula C15H18F6N2 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-(2-piperidin-2-ylethyl)-3,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2-piperidin-2-ylethyl)-3,5-bis(trifluoromethyl)aniline
PubChem CID2776455
Molecular FormulaC15H18F6N2
Molecular Weight340.31 g/mol
Exact Mass340.14
IUPAC NameN-(2-piperidin-2-ylethyl)-3,5-bis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCCC2CCCCN2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H18F6N2/c16-14(17,18)10-7-11(15(19,20)21)9-13(8-10)23-6-4-12-3-1-2-5-22-12/h7-9,12,22-23H,1-6H2
InChIKeyUMLGDRGOZSHCMY-UHFFFAOYSA-N
XLogP4.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-piperidin-2-ylethyl)-3,5-bis(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 N-(2-piperidin-2-ylethyl)-3,5-bis(trifluoromethyl)aniline?
The IUPAC name of N-(2-piperidin-2-ylethyl)-3,5-bis(trifluoromethyl)aniline (CID 2776455) is N-(2-piperidin-2-ylethyl)-3,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for N-(2-piperidin-2-ylethyl)-3,5-bis(trifluoromethyl)aniline?
The canonical SMILES for N-(2-piperidin-2-ylethyl)-3,5-bis(trifluoromethyl)aniline is FC(F)(F)c1cc(NCCC2CCCCN2)cc(C(F)(F)F)c1.
What is the InChIKey of N-(2-piperidin-2-ylethyl)-3,5-bis(trifluoromethyl)aniline?
The InChIKey is UMLGDRGOZSHCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F6N2/c16-14(17,18)10-7-11(15(19,20)21)9-13(8-10)23-6-4-12-3-1-2-5-22-12/h7-9,12,22-23H,1-6H2.
What are the key properties of N-(2-piperidin-2-ylethyl)-3,5-bis(trifluoromethyl)aniline?
N-(2-piperidin-2-ylethyl)-3,5-bis(trifluoromethyl)aniline has a molecular weight of 340.31 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-2-ylethyl)-3,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 2776455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).