5,5-dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine

C15H29F3N2O — CID 64839509

IUPAC5,5-dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESCC(C)CC1CNC(C)(C)CN1CCCOCC(F)(F)F
InChIInChI=1S/C15H29F3N2O/c1-12(2)8-13-9-19-14(3,4)10-20(13)6-5-7-21-11-15(16,17)18/h12-13,19H,5-11H2,1-4H3
InChIKeyFAZUIJBTGICYBT-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.05
Rot. Bonds7

About 5,5-dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine

5,5-dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine (PubChem CID 64839509) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine.

Molecular Properties

Compound Name5,5-dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
PubChem CID64839509
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name5,5-dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESCC(C)CC1CNC(C)(C)CN1CCCOCC(F)(F)F
InChIInChI=1S/C15H29F3N2O/c1-12(2)8-13-9-19-14(3,4)10-20(13)6-5-7-21-11-15(16,17)18/h12-13,19H,5-11H2,1-4H3
InChIKeyFAZUIJBTGICYBT-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5,5-dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]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 5,5-dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The IUPAC name of 5,5-dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine (CID 64839509) is 5,5-dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine.
What is the SMILES notation for 5,5-dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The canonical SMILES for 5,5-dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine is CC(C)CC1CNC(C)(C)CN1CCCOCC(F)(F)F.
What is the InChIKey of 5,5-dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The InChIKey is FAZUIJBTGICYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-12(2)8-13-9-19-14(3,4)10-20(13)6-5-7-21-11-15(16,17)18/h12-13,19H,5-11H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
5,5-dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine has a molecular weight of 310.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine is sourced from PubChem (CID 64839509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).