1-(3,5-dimethylpiperazin-1-yl)-2,2,2-trifluoroethanimine

C8H14F3N3 — CID 131701370

IUPAC1-(3,5-dimethylpiperazin-1-yl)-2,2,2-trifluoroethanimine
SMILES[H]/N=C(/N1CC(C)NC(C)C1)C(F)(F)F
InChIInChI=1S/C8H14F3N3/c1-5-3-14(4-6(2)13-5)7(12)8(9,10)11/h5-6,12-13H,3-4H2,1-2H3/b12-7+
InChIKeyAGDWXLMFJKFXKD-KPKJPENVSA-N
MW209.21 g/mol
LogP1.21
Rot. Bonds

About 1-(3,5-dimethylpiperazin-1-yl)-2,2,2-trifluoroethanimine

1-(3,5-dimethylpiperazin-1-yl)-2,2,2-trifluoroethanimine (PubChem CID 131701370) has the molecular formula C8H14F3N3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperazin-1-yl)-2,2,2-trifluoroethanimine.

Molecular Properties

Compound Name1-(3,5-dimethylpiperazin-1-yl)-2,2,2-trifluoroethanimine
PubChem CID131701370
Molecular FormulaC8H14F3N3
Molecular Weight209.21 g/mol
Exact Mass209.11
IUPAC Name1-(3,5-dimethylpiperazin-1-yl)-2,2,2-trifluoroethanimine
SMILES[H]/N=C(/N1CC(C)NC(C)C1)C(F)(F)F
InChIInChI=1S/C8H14F3N3/c1-5-3-14(4-6(2)13-5)7(12)8(9,10)11/h5-6,12-13H,3-4H2,1-2H3/b12-7+
InChIKeyAGDWXLMFJKFXKD-KPKJPENVSA-N
XLogP1.21
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)-2,2,2-trifluoroethanimine?
The IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)-2,2,2-trifluoroethanimine (CID 131701370) is 1-(3,5-dimethylpiperazin-1-yl)-2,2,2-trifluoroethanimine.
What is the SMILES notation for 1-(3,5-dimethylpiperazin-1-yl)-2,2,2-trifluoroethanimine?
The canonical SMILES for 1-(3,5-dimethylpiperazin-1-yl)-2,2,2-trifluoroethanimine is [H]/N=C(/N1CC(C)NC(C)C1)C(F)(F)F.
What is the InChIKey of 1-(3,5-dimethylpiperazin-1-yl)-2,2,2-trifluoroethanimine?
The InChIKey is AGDWXLMFJKFXKD-KPKJPENVSA-N. The full InChI is InChI=1S/C8H14F3N3/c1-5-3-14(4-6(2)13-5)7(12)8(9,10)11/h5-6,12-13H,3-4H2,1-2H3/b12-7+.
What are the key properties of 1-(3,5-dimethylpiperazin-1-yl)-2,2,2-trifluoroethanimine?
1-(3,5-dimethylpiperazin-1-yl)-2,2,2-trifluoroethanimine has a molecular weight of 209.21 g/mol, XLogP of 1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperazin-1-yl)-2,2,2-trifluoroethanimine is sourced from PubChem (CID 131701370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).