N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine

C15H22F3N3 — CID 81117134

IUPACN-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2ccc(N)cc2C(F)(F)F)C1
InChIInChI=1S/C15H22F3N3/c1-20-7-3-4-13(10-20)21(2)9-11-5-6-12(19)8-14(11)15(16,17)18/h5-6,8,13H,3-4,7,9-10,19H2,1-2H3
InChIKeyUZXIBGJTRWEFSR-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.81
Rot. Bonds3

About N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine

N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 81117134) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine
PubChem CID81117134
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC NameN-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2ccc(N)cc2C(F)(F)F)C1
InChIInChI=1S/C15H22F3N3/c1-20-7-3-4-13(10-20)21(2)9-11-5-6-12(19)8-14(11)15(16,17)18/h5-6,8,13H,3-4,7,9-10,19H2,1-2H3
InChIKeyUZXIBGJTRWEFSR-UHFFFAOYSA-N
XLogP2.81
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-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 N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine (CID 81117134) is N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)Cc2ccc(N)cc2C(F)(F)F)C1.
What is the InChIKey of N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is UZXIBGJTRWEFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-20-7-3-4-13(10-20)21(2)9-11-5-6-12(19)8-14(11)15(16,17)18/h5-6,8,13H,3-4,7,9-10,19H2,1-2H3.
What are the key properties of N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine?
N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 301.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 81117134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).