cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine

C10H16F3N3 — CID 63181565

IUPACcyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine
SMILES[H]/N=C(\C1CC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3/c11-10(12,13)7-15-3-5-16(6-4-15)9(14)8-1-2-8/h8,14H,1-7H2/b14-9+
InChIKeyUXSUNVIBXOYZJA-NTEUORMPSA-N
MW235.25 g/mol
LogP1.55
Rot. Bonds2

About cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine

cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine (PubChem CID 63181565) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Namecyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine
PubChem CID63181565
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Namecyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine
SMILES[H]/N=C(\C1CC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3/c11-10(12,13)7-15-3-5-16(6-4-15)9(14)8-1-2-8/h8,14H,1-7H2/b14-9+
InChIKeyUXSUNVIBXOYZJA-NTEUORMPSA-N
XLogP1.55
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.55
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 cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine?
The IUPAC name of cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine (CID 63181565) is cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine.
What is the SMILES notation for cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine?
The canonical SMILES for cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine is [H]/N=C(\C1CC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine?
The InChIKey is UXSUNVIBXOYZJA-NTEUORMPSA-N. The full InChI is InChI=1S/C10H16F3N3/c11-10(12,13)7-15-3-5-16(6-4-15)9(14)8-1-2-8/h8,14H,1-7H2/b14-9+.
What are the key properties of cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine?
cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine has a molecular weight of 235.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 63181565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).