4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)aniline

C14H19F3N2 — CID 43078605

IUPAC4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)aniline
SMILESCC1CC(C)CN(c2ccc(N)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H19F3N2/c1-9-5-10(2)8-19(7-9)11-3-4-13(18)12(6-11)14(15,16)17/h3-4,6,9-10H,5,7-8,18H2,1-2H3
InChIKeyLCDXPFVTZATQFH-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.77
Rot. Bonds1

About 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)aniline

4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)aniline (PubChem CID 43078605) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)aniline
PubChem CID43078605
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)aniline
SMILESCC1CC(C)CN(c2ccc(N)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H19F3N2/c1-9-5-10(2)8-19(7-9)11-3-4-13(18)12(6-11)14(15,16)17/h3-4,6,9-10H,5,7-8,18H2,1-2H3
InChIKeyLCDXPFVTZATQFH-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
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 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)aniline (CID 43078605) is 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)aniline is CC1CC(C)CN(c2ccc(N)c(C(F)(F)F)c2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)aniline?
The InChIKey is LCDXPFVTZATQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-9-5-10(2)8-19(7-9)11-3-4-13(18)12(6-11)14(15,16)17/h3-4,6,9-10H,5,7-8,18H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)aniline?
4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)aniline has a molecular weight of 272.31 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 43078605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).