4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine

C15H22F3N3 — CID 7443492

IUPAC4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine
SMILESC[C@@H](Cc1cccc(C(F)(F)F)c1)NN1CCN(C)CC1
InChIInChI=1S/C15H22F3N3/c1-12(19-21-8-6-20(2)7-9-21)10-13-4-3-5-14(11-13)15(16,17)18/h3-5,11-12,19H,6-10H2,1-2H3/t12-/m0/s1
InChIKeyPPIUQZCZOOOTQM-LBPRGKRZSA-N
MW301.36 g/mol
LogP2.39
Rot. Bonds4

About 4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine

4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine (PubChem CID 7443492) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine
PubChem CID7443492
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine
SMILESC[C@@H](Cc1cccc(C(F)(F)F)c1)NN1CCN(C)CC1
InChIInChI=1S/C15H22F3N3/c1-12(19-21-8-6-20(2)7-9-21)10-13-4-3-5-14(11-13)15(16,17)18/h3-5,11-12,19H,6-10H2,1-2H3/t12-/m0/s1
InChIKeyPPIUQZCZOOOTQM-LBPRGKRZSA-N
XLogP2.39
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-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

4-methyl-N-[(2R)-1-phenylpropan-2-yl]piperazin-1-amine
CID 124600300
(2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 757431
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
(2S)-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 70500671
2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81011675
(2S)-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 42563452
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
N-ethyl-3-methyl-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81019957
3-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanenitrile;hydrochloride
CID 3046408
1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
CID 1375720

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine?
The IUPAC name of 4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine (CID 7443492) is 4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine?
The canonical SMILES for 4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine is C[C@@H](Cc1cccc(C(F)(F)F)c1)NN1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine?
The InChIKey is PPIUQZCZOOOTQM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-12(19-21-8-6-20(2)7-9-21)10-13-4-3-5-14(11-13)15(16,17)18/h3-5,11-12,19H,6-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine?
4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine has a molecular weight of 301.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine is sourced from PubChem (CID 7443492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).