4-methyl-N-[2-(trifluoromethoxy)ethyl]piperazin-1-amine

C8H16F3N3O — CID 83021252

IUPAC4-methyl-N-[2-(trifluoromethoxy)ethyl]piperazin-1-amine
SMILESCN1CCN(NCCOC(F)(F)F)CC1
InChIInChI=1S/C8H16F3N3O/c1-13-3-5-14(6-4-13)12-2-7-15-8(9,10)11/h12H,2-7H2,1H3
InChIKeyVOACSFVWLRKINA-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.27
Rot. Bonds4

About 4-methyl-N-[2-(trifluoromethoxy)ethyl]piperazin-1-amine

4-methyl-N-[2-(trifluoromethoxy)ethyl]piperazin-1-amine (PubChem CID 83021252) has the molecular formula C8H16F3N3O and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-methyl-N-[2-(trifluoromethoxy)ethyl]piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(trifluoromethoxy)ethyl]piperazin-1-amine
PubChem CID83021252
Molecular FormulaC8H16F3N3O
Molecular Weight227.23 g/mol
Exact Mass227.12
IUPAC Name4-methyl-N-[2-(trifluoromethoxy)ethyl]piperazin-1-amine
SMILESCN1CCN(NCCOC(F)(F)F)CC1
InChIInChI=1S/C8H16F3N3O/c1-13-3-5-14(6-4-13)12-2-7-15-8(9,10)11/h12H,2-7H2,1H3
InChIKeyVOACSFVWLRKINA-UHFFFAOYSA-N
XLogP0.27
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(trifluoromethoxy)ethyl]piperazin-1-amine?
The IUPAC name of 4-methyl-N-[2-(trifluoromethoxy)ethyl]piperazin-1-amine (CID 83021252) is 4-methyl-N-[2-(trifluoromethoxy)ethyl]piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(trifluoromethoxy)ethyl]piperazin-1-amine?
The canonical SMILES for 4-methyl-N-[2-(trifluoromethoxy)ethyl]piperazin-1-amine is CN1CCN(NCCOC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-N-[2-(trifluoromethoxy)ethyl]piperazin-1-amine?
The InChIKey is VOACSFVWLRKINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O/c1-13-3-5-14(6-4-13)12-2-7-15-8(9,10)11/h12H,2-7H2,1H3.
What are the key properties of 4-methyl-N-[2-(trifluoromethoxy)ethyl]piperazin-1-amine?
4-methyl-N-[2-(trifluoromethoxy)ethyl]piperazin-1-amine has a molecular weight of 227.23 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(trifluoromethoxy)ethyl]piperazin-1-amine is sourced from PubChem (CID 83021252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).