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

C10H18F3N3 — CID 63181564

IUPAC2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3/c1-8(2)9(14)16-5-3-15(4-6-16)7-10(11,12)13/h8,14H,3-7H2,1-2H3/b14-9+
InChIKeyQXTTVJJDTLJWGD-NTEUORMPSA-N
MW237.27 g/mol
LogP1.80
Rot. Bonds2

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

2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine (PubChem CID 63181564) has the molecular formula C10H18F3N3 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine.

Molecular Properties

Compound Name2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine
PubChem CID63181564
Molecular FormulaC10H18F3N3
Molecular Weight237.27 g/mol
Exact Mass237.15
IUPAC Name2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3/c1-8(2)9(14)16-5-3-15(4-6-16)7-10(11,12)13/h8,14H,3-7H2,1-2H3/b14-9+
InChIKeyQXTTVJJDTLJWGD-NTEUORMPSA-N
XLogP1.80
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.80
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'}

Analyze 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine?
The IUPAC name of 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine (CID 63181564) is 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine.
What is the SMILES notation for 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine?
The canonical SMILES for 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine is [H]/N=C(\C(C)C)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine?
The InChIKey is QXTTVJJDTLJWGD-NTEUORMPSA-N. The full InChI is InChI=1S/C10H18F3N3/c1-8(2)9(14)16-5-3-15(4-6-16)7-10(11,12)13/h8,14H,3-7H2,1-2H3/b14-9+.
What are the key properties of 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine?
2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine has a molecular weight of 237.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine is sourced from PubChem (CID 63181564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).