5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine

C11H19F3N2 — CID 106211860

IUPAC5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
SMILESCCC1CN(C2(C(F)(F)F)CC2)C(C)CN1
InChIInChI=1S/C11H19F3N2/c1-3-9-7-16(8(2)6-15-9)10(4-5-10)11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyNVFDMFJKYVULKO-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.15
Rot. Bonds2

About 5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine

5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine (PubChem CID 106211860) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine.

Molecular Properties

Compound Name5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
PubChem CID106211860
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
SMILESCCC1CN(C2(C(F)(F)F)CC2)C(C)CN1
InChIInChI=1S/C11H19F3N2/c1-3-9-7-16(8(2)6-15-9)10(4-5-10)11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyNVFDMFJKYVULKO-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine 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 5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The IUPAC name of 5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine (CID 106211860) is 5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine.
What is the SMILES notation for 5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The canonical SMILES for 5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine is CCC1CN(C2(C(F)(F)F)CC2)C(C)CN1.
What is the InChIKey of 5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The InChIKey is NVFDMFJKYVULKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-3-9-7-16(8(2)6-15-9)10(4-5-10)11(12,13)14/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine has a molecular weight of 236.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine is sourced from PubChem (CID 106211860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).