2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine

C15H22F3N3 — CID 63339792

IUPAC2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
SMILESCC(C)(CN)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H22F3N3/c1-14(2,11-19)21-9-7-20(8-10-21)13-5-3-12(4-6-13)15(16,17)18/h3-6H,7-11,19H2,1-2H3
InChIKeyPHSIEQHEAIUHMA-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.56
Rot. Bonds3

About 2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine

2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine (PubChem CID 63339792) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
PubChem CID63339792
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
SMILESCC(C)(CN)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H22F3N3/c1-14(2,11-19)21-9-7-20(8-10-21)13-5-3-12(4-6-13)15(16,17)18/h3-6H,7-11,19H2,1-2H3
InChIKeyPHSIEQHEAIUHMA-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 43135337
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161464
2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
CID 24695476
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161461
1-tert-butyl-4-(4-tert-butylphenyl)piperazine
CID 59476465
1-amino-2-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62774941
1-(2-chloroethyl)-4-[4-(trifluoromethyl)phenyl]piperazine
CID 63392477
2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine
CID 28807053
2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine
CID 61354158
(2R)-2-amino-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 97341723
5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 133405359
1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine
CID 71080668

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine (CID 63339792) is 2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine is CC(C)(CN)N1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine?
The InChIKey is PHSIEQHEAIUHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-14(2,11-19)21-9-7-20(8-10-21)13-5-3-12(4-6-13)15(16,17)18/h3-6H,7-11,19H2,1-2H3.
What are the key properties of 2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine?
2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine has a molecular weight of 301.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 63339792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).