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

C20H23F3N4 — CID 134437804

IUPAC4-methyl-N-[1-[(2S)-2-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethenyl]pyridin-2-amine
SMILESC=C(Nc1cc(C)ccn1)N1CCN(c2cccc(C(F)(F)F)c2)C[C@@H]1C
InChIInChI=1S/C20H23F3N4/c1-14-7-8-24-19(11-14)25-16(3)27-10-9-26(13-15(27)2)18-6-4-5-17(12-18)20(21,22)23/h4-8,11-12,15H,3,9-10,13H2,1-2H3,(H,24,25)/t15-/m0/s1
InChIKeyJJVHIHSBUISSCB-HNNXBMFYSA-N
MW376.43 g/mol
LogP4.50
Rot. Bonds4

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

4-methyl-N-[1-[(2S)-2-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethenyl]pyridin-2-amine (PubChem CID 134437804) has the molecular formula C20H23F3N4 and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-methyl-N-[1-[(2S)-2-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[1-[(2S)-2-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethenyl]pyridin-2-amine
PubChem CID134437804
Molecular FormulaC20H23F3N4
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name4-methyl-N-[1-[(2S)-2-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethenyl]pyridin-2-amine
SMILESC=C(Nc1cc(C)ccn1)N1CCN(c2cccc(C(F)(F)F)c2)C[C@@H]1C
InChIInChI=1S/C20H23F3N4/c1-14-7-8-24-19(11-14)25-16(3)27-10-9-26(13-15(27)2)18-6-4-5-17(12-18)20(21,22)23/h4-8,11-12,15H,3,9-10,13H2,1-2H3,(H,24,25)/t15-/m0/s1
InChIKeyJJVHIHSBUISSCB-HNNXBMFYSA-N
XLogP4.50
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 123229345
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CID 141425766
N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine
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CID 117002935
4-(4-methylphenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine
CID 71187765
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine
CID 130392683
1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 51063840
N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315146
1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine
CID 154771446

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[(2S)-2-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethenyl]pyridin-2-amine?
The IUPAC name of 4-methyl-N-[1-[(2S)-2-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethenyl]pyridin-2-amine (CID 134437804) is 4-methyl-N-[1-[(2S)-2-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethenyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-N-[1-[(2S)-2-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethenyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-N-[1-[(2S)-2-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethenyl]pyridin-2-amine is C=C(Nc1cc(C)ccn1)N1CCN(c2cccc(C(F)(F)F)c2)C[C@@H]1C.
What is the InChIKey of 4-methyl-N-[1-[(2S)-2-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethenyl]pyridin-2-amine?
The InChIKey is JJVHIHSBUISSCB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23F3N4/c1-14-7-8-24-19(11-14)25-16(3)27-10-9-26(13-15(27)2)18-6-4-5-17(12-18)20(21,22)23/h4-8,11-12,15H,3,9-10,13H2,1-2H3,(H,24,25)/t15-/m0/s1.
What are the key properties of 4-methyl-N-[1-[(2S)-2-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethenyl]pyridin-2-amine?
4-methyl-N-[1-[(2S)-2-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethenyl]pyridin-2-amine has a molecular weight of 376.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[(2S)-2-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethenyl]pyridin-2-amine is sourced from PubChem (CID 134437804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).