4-(2-fluoroethyl)-1,2-dimethylpiperazine

C8H17FN2 — CID 126994663

IUPAC4-(2-fluoroethyl)-1,2-dimethylpiperazine
SMILESCC1CN(CCF)CCN1C
InChIInChI=1S/C8H17FN2/c1-8-7-11(4-3-9)6-5-10(8)2/h8H,3-7H2,1-2H3
InChIKeyXJJJEVKOTGHMSC-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.59
Rot. Bonds2

About 4-(2-fluoroethyl)-1,2-dimethylpiperazine

4-(2-fluoroethyl)-1,2-dimethylpiperazine (PubChem CID 126994663) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-1,2-dimethylpiperazine.

Molecular Properties

Compound Name4-(2-fluoroethyl)-1,2-dimethylpiperazine
PubChem CID126994663
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name4-(2-fluoroethyl)-1,2-dimethylpiperazine
SMILESCC1CN(CCF)CCN1C
InChIInChI=1S/C8H17FN2/c1-8-7-11(4-3-9)6-5-10(8)2/h8H,3-7H2,1-2H3
InChIKeyXJJJEVKOTGHMSC-UHFFFAOYSA-N
XLogP0.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-fluoroethyl)-1,2-dimethylpiperazine 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-fluoroethyl)-1,2-dimethylpiperazine?
The IUPAC name of 4-(2-fluoroethyl)-1,2-dimethylpiperazine (CID 126994663) is 4-(2-fluoroethyl)-1,2-dimethylpiperazine.
What is the SMILES notation for 4-(2-fluoroethyl)-1,2-dimethylpiperazine?
The canonical SMILES for 4-(2-fluoroethyl)-1,2-dimethylpiperazine is CC1CN(CCF)CCN1C.
What is the InChIKey of 4-(2-fluoroethyl)-1,2-dimethylpiperazine?
The InChIKey is XJJJEVKOTGHMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-8-7-11(4-3-9)6-5-10(8)2/h8H,3-7H2,1-2H3.
What are the key properties of 4-(2-fluoroethyl)-1,2-dimethylpiperazine?
4-(2-fluoroethyl)-1,2-dimethylpiperazine has a molecular weight of 160.24 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-1,2-dimethylpiperazine is sourced from PubChem (CID 126994663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).