2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine

C11H20F3N3 — CID 55158437

IUPAC2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine
SMILES[H]/N=C(\N1CCN(CC(F)(F)F)CC1)C(C)(C)C
InChIInChI=1S/C11H20F3N3/c1-10(2,3)9(15)17-6-4-16(5-7-17)8-11(12,13)14/h15H,4-8H2,1-3H3/b15-9-
InChIKeyNHUSLSGPAROMAB-DHDCSXOGSA-N
MW251.30 g/mol
LogP2.19
Rot. Bonds1

About 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine

2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine (PubChem CID 55158437) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine
PubChem CID55158437
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine
SMILES[H]/N=C(\N1CCN(CC(F)(F)F)CC1)C(C)(C)C
InChIInChI=1S/C11H20F3N3/c1-10(2,3)9(15)17-6-4-16(5-7-17)8-11(12,13)14/h15H,4-8H2,1-3H3/b15-9-
InChIKeyNHUSLSGPAROMAB-DHDCSXOGSA-N
XLogP2.19
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
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 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine?
The IUPAC name of 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine (CID 55158437) is 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine?
The canonical SMILES for 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine is [H]/N=C(\N1CCN(CC(F)(F)F)CC1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine?
The InChIKey is NHUSLSGPAROMAB-DHDCSXOGSA-N. The full InChI is InChI=1S/C11H20F3N3/c1-10(2,3)9(15)17-6-4-16(5-7-17)8-11(12,13)14/h15H,4-8H2,1-3H3/b15-9-.
What are the key properties of 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine?
2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine has a molecular weight of 251.30 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine is sourced from PubChem (CID 55158437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).