2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline

C14H19F3N2 — CID 166062363

IUPAC2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
SMILESCc1cc(N2CCC(C(F)(F)F)CC2)c(C)cc1N
InChIInChI=1S/C14H19F3N2/c1-9-8-13(10(2)7-12(9)18)19-5-3-11(4-6-19)14(15,16)17/h7-8,11H,3-6,18H2,1-2H3
InChIKeyFIRBUKMVUYIKNF-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.66
Rot. Bonds1

About 2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline

2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline (PubChem CID 166062363) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
PubChem CID166062363
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
SMILESCc1cc(N2CCC(C(F)(F)F)CC2)c(C)cc1N
InChIInChI=1S/C14H19F3N2/c1-9-8-13(10(2)7-12(9)18)19-5-3-11(4-6-19)14(15,16)17/h7-8,11H,3-6,18H2,1-2H3
InChIKeyFIRBUKMVUYIKNF-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline?
The IUPAC name of 2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline (CID 166062363) is 2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline.
What is the SMILES notation for 2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline?
The canonical SMILES for 2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline is Cc1cc(N2CCC(C(F)(F)F)CC2)c(C)cc1N.
What is the InChIKey of 2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline?
The InChIKey is FIRBUKMVUYIKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-9-8-13(10(2)7-12(9)18)19-5-3-11(4-6-19)14(15,16)17/h7-8,11H,3-6,18H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline?
2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline has a molecular weight of 272.31 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline is sourced from PubChem (CID 166062363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).