2-methyl-1-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]piperazine

C11H19F3N2O — CID 165488779

IUPAC2-methyl-1-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]piperazine
SMILESCC1CNCCN1C(C1CCOC1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-8-6-15-3-4-16(8)10(11(12,13)14)9-2-5-17-7-9/h8-10,15H,2-7H2,1H3
InChIKeyMZODNVAWHIFYER-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.25
Rot. Bonds2

About 2-methyl-1-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]piperazine

2-methyl-1-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]piperazine (PubChem CID 165488779) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-methyl-1-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name2-methyl-1-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]piperazine
PubChem CID165488779
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-methyl-1-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]piperazine
SMILESCC1CNCCN1C(C1CCOC1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-8-6-15-3-4-16(8)10(11(12,13)14)9-2-5-17-7-9/h8-10,15H,2-7H2,1H3
InChIKeyMZODNVAWHIFYER-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]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 2-methyl-1-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]piperazine?
The IUPAC name of 2-methyl-1-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]piperazine (CID 165488779) is 2-methyl-1-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]piperazine.
What is the SMILES notation for 2-methyl-1-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]piperazine?
The canonical SMILES for 2-methyl-1-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]piperazine is CC1CNCCN1C(C1CCOC1)C(F)(F)F.
What is the InChIKey of 2-methyl-1-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]piperazine?
The InChIKey is MZODNVAWHIFYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8-6-15-3-4-16(8)10(11(12,13)14)9-2-5-17-7-9/h8-10,15H,2-7H2,1H3.
What are the key properties of 2-methyl-1-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]piperazine?
2-methyl-1-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]piperazine has a molecular weight of 252.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]piperazine is sourced from PubChem (CID 165488779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).