1-methyl-4-(trifluoromethyl)piperidin-3-amine

C7H13F3N2 — CID 20763641

IUPAC1-methyl-4-(trifluoromethyl)piperidin-3-amine
SMILESCN1CCC(C(F)(F)F)C(N)C1
InChIInChI=1S/C7H13F3N2/c1-12-3-2-5(6(11)4-12)7(8,9)10/h5-6H,2-4,11H2,1H3
InChIKeyIJOYAKMYXSNWDR-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.83
Rot. Bonds

About 1-methyl-4-(trifluoromethyl)piperidin-3-amine

1-methyl-4-(trifluoromethyl)piperidin-3-amine (PubChem CID 20763641) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)piperidin-3-amine
PubChem CID20763641
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name1-methyl-4-(trifluoromethyl)piperidin-3-amine
SMILESCN1CCC(C(F)(F)F)C(N)C1
InChIInChI=1S/C7H13F3N2/c1-12-3-2-5(6(11)4-12)7(8,9)10/h5-6H,2-4,11H2,1H3
InChIKeyIJOYAKMYXSNWDR-UHFFFAOYSA-N
XLogP0.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-(trifluoromethyl)piperidin-3-amine 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 1-methyl-4-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of 1-methyl-4-(trifluoromethyl)piperidin-3-amine (CID 20763641) is 1-methyl-4-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)piperidin-3-amine is CN1CCC(C(F)(F)F)C(N)C1.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)piperidin-3-amine?
The InChIKey is IJOYAKMYXSNWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-12-3-2-5(6(11)4-12)7(8,9)10/h5-6H,2-4,11H2,1H3.
What are the key properties of 1-methyl-4-(trifluoromethyl)piperidin-3-amine?
1-methyl-4-(trifluoromethyl)piperidin-3-amine has a molecular weight of 182.19 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 20763641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).