2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine

C14H20F3N3 — CID 16792620

IUPAC2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCN1CCN(C(CN)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H20F3N3/c1-19-5-7-20(8-6-19)13(10-18)11-3-2-4-12(9-11)14(15,16)17/h2-4,9,13H,5-8,10,18H2,1H3
InChIKeyLVSVUQNZBDZKPL-UHFFFAOYSA-N
MW287.33 g/mol
LogP1.95
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine

2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 16792620) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID16792620
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCN1CCN(C(CN)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H20F3N3/c1-19-5-7-20(8-6-19)13(10-18)11-3-2-4-12(9-11)14(15,16)17/h2-4,9,13H,5-8,10,18H2,1H3
InChIKeyLVSVUQNZBDZKPL-UHFFFAOYSA-N
XLogP1.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79188682
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 115559424
2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102965130
2-(4-methyl-1,4-diazepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine
CID 61210753
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol
CID 54775900
1-[(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]piperazine;dihydrochloride
CID 171291312
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338
2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine
CID 43209319
[(1,4-dimethylpiperazin-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105247407
(3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 171173689
1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171176427

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 16792620) is 2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is CN1CCN(C(CN)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is LVSVUQNZBDZKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-19-5-7-20(8-6-19)13(10-18)11-3-2-4-12(9-11)14(15,16)17/h2-4,9,13H,5-8,10,18H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 287.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 16792620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).