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

C13H18F3N3 — CID 11208050

IUPAC2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)11-2-1-3-12(10-11)19-8-6-18(5-4-17)7-9-19/h1-3,10H,4-9,17H2
InChIKeyYDJUKXZGPAOCSN-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.79
Rot. Bonds3

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

2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine (PubChem CID 11208050) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
PubChem CID11208050
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)11-2-1-3-12(10-11)19-8-6-18(5-4-17)7-9-19/h1-3,10H,4-9,17H2
InChIKeyYDJUKXZGPAOCSN-UHFFFAOYSA-N
XLogP1.79
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine (CID 11208050) is 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine is NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine?
The InChIKey is YDJUKXZGPAOCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c14-13(15,16)11-2-1-3-12(10-11)19-8-6-18(5-4-17)7-9-19/h1-3,10H,4-9,17H2.
What are the key properties of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine?
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine has a molecular weight of 273.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 11208050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).