4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine

C12H25FN2 — CID 146658892

IUPAC4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine
SMILESCN1CCN(CC(C)(C)C)CC1CCF
InChIInChI=1S/C12H25FN2/c1-12(2,3)10-15-8-7-14(4)11(9-15)5-6-13/h11H,5-10H2,1-4H3
InChIKeyVEFXKKVPEBGYBA-UHFFFAOYSA-N
MW216.34 g/mol
LogP2.01
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine

4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine (PubChem CID 146658892) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine
PubChem CID146658892
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine
SMILESCN1CCN(CC(C)(C)C)CC1CCF
InChIInChI=1S/C12H25FN2/c1-12(2,3)10-15-8-7-14(4)11(9-15)5-6-13/h11H,5-10H2,1-4H3
InChIKeyVEFXKKVPEBGYBA-UHFFFAOYSA-N
XLogP2.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine 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 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine (CID 146658892) is 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine is CN1CCN(CC(C)(C)C)CC1CCF.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine?
The InChIKey is VEFXKKVPEBGYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2/c1-12(2,3)10-15-8-7-14(4)11(9-15)5-6-13/h11H,5-10H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine?
4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine has a molecular weight of 216.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine is sourced from PubChem (CID 146658892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).