2-piperidin-4-yl-5-(trifluoromethyl)aniline

C12H15F3N2 — CID 56828115

IUPAC2-piperidin-4-yl-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1C1CCNCC1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-1-2-10(11(16)7-9)8-3-5-17-6-4-8/h1-2,7-8,17H,3-6,16H2
InChIKeyZPSHOXCULHNASS-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.75
Rot. Bonds1

About 2-piperidin-4-yl-5-(trifluoromethyl)aniline

2-piperidin-4-yl-5-(trifluoromethyl)aniline (PubChem CID 56828115) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-piperidin-4-yl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-piperidin-4-yl-5-(trifluoromethyl)aniline
PubChem CID56828115
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name2-piperidin-4-yl-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1C1CCNCC1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-1-2-10(11(16)7-9)8-3-5-17-6-4-8/h1-2,7-8,17H,3-6,16H2
InChIKeyZPSHOXCULHNASS-UHFFFAOYSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-5-(trifluoromethyl)aniline?
The IUPAC name of 2-piperidin-4-yl-5-(trifluoromethyl)aniline (CID 56828115) is 2-piperidin-4-yl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-piperidin-4-yl-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-piperidin-4-yl-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1C1CCNCC1.
What is the InChIKey of 2-piperidin-4-yl-5-(trifluoromethyl)aniline?
The InChIKey is ZPSHOXCULHNASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)9-1-2-10(11(16)7-9)8-3-5-17-6-4-8/h1-2,7-8,17H,3-6,16H2.
What are the key properties of 2-piperidin-4-yl-5-(trifluoromethyl)aniline?
2-piperidin-4-yl-5-(trifluoromethyl)aniline has a molecular weight of 244.26 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 56828115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).