2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline

C14H19F3N2 — CID 62330125

IUPAC2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline
SMILESCC1CCN(c2ccc(C(F)(F)F)cc2N)C(C)C1
InChIInChI=1S/C14H19F3N2/c1-9-5-6-19(10(2)7-9)13-4-3-11(8-12(13)18)14(15,16)17/h3-4,8-10H,5-7,18H2,1-2H3
InChIKeyWRALSESUAXBVMT-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.91
Rot. Bonds1

About 2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline

2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline (PubChem CID 62330125) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline
PubChem CID62330125
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline
SMILESCC1CCN(c2ccc(C(F)(F)F)cc2N)C(C)C1
InChIInChI=1S/C14H19F3N2/c1-9-5-6-19(10(2)7-9)13-4-3-11(8-12(13)18)14(15,16)17/h3-4,8-10H,5-7,18H2,1-2H3
InChIKeyWRALSESUAXBVMT-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
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-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline (CID 62330125) is 2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline is CC1CCN(c2ccc(C(F)(F)F)cc2N)C(C)C1.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline?
The InChIKey is WRALSESUAXBVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-9-5-6-19(10(2)7-9)13-4-3-11(8-12(13)18)14(15,16)17/h3-4,8-10H,5-7,18H2,1-2H3.
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline?
2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline has a molecular weight of 272.31 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 62330125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).