1-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-imine

C10H18F3N3 — CID 70909989

IUPAC1-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-imine
SMILESCC/C(=N\CC(F)(F)F)N1CCN(C)CC1
InChIInChI=1S/C10H18F3N3/c1-3-9(14-8-10(11,12)13)16-6-4-15(2)5-7-16/h3-8H2,1-2H3/b14-9+
InChIKeyPBPIJEUAAVTHLJ-NTEUORMPSA-N
MW237.27 g/mol
LogP1.60
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-imine

1-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-imine (PubChem CID 70909989) has the molecular formula C10H18F3N3 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-imine.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-imine
PubChem CID70909989
Molecular FormulaC10H18F3N3
Molecular Weight237.27 g/mol
Exact Mass237.15
IUPAC Name1-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-imine
SMILESCC/C(=N\CC(F)(F)F)N1CCN(C)CC1
InChIInChI=1S/C10H18F3N3/c1-3-9(14-8-10(11,12)13)16-6-4-15(2)5-7-16/h3-8H2,1-2H3/b14-9+
InChIKeyPBPIJEUAAVTHLJ-NTEUORMPSA-N
XLogP1.60
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.60
H-Bond Donors ≤ 50
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-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-imine?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-imine (CID 70909989) is 1-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-imine.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-imine?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-imine is CC/C(=N\CC(F)(F)F)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-imine?
The InChIKey is PBPIJEUAAVTHLJ-NTEUORMPSA-N. The full InChI is InChI=1S/C10H18F3N3/c1-3-9(14-8-10(11,12)13)16-6-4-15(2)5-7-16/h3-8H2,1-2H3/b14-9+.
What are the key properties of 1-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-imine?
1-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-imine has a molecular weight of 237.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-imine is sourced from PubChem (CID 70909989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).