(2S)-2-(2-fluoroethyl)-1-methylpiperazine

C7H15FN2 — CID 124660399

IUPAC(2S)-2-(2-fluoroethyl)-1-methylpiperazine
SMILESCN1CCNC[C@@H]1CCF
InChIInChI=1S/C7H15FN2/c1-10-5-4-9-6-7(10)2-3-8/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyZGOJINIQMQDGOU-ZETCQYMHSA-N
MW146.21 g/mol
LogP0.25
Rot. Bonds2

About (2S)-2-(2-fluoroethyl)-1-methylpiperazine

(2S)-2-(2-fluoroethyl)-1-methylpiperazine (PubChem CID 124660399) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is (2S)-2-(2-fluoroethyl)-1-methylpiperazine.

Molecular Properties

Compound Name(2S)-2-(2-fluoroethyl)-1-methylpiperazine
PubChem CID124660399
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name(2S)-2-(2-fluoroethyl)-1-methylpiperazine
SMILESCN1CCNC[C@@H]1CCF
InChIInChI=1S/C7H15FN2/c1-10-5-4-9-6-7(10)2-3-8/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyZGOJINIQMQDGOU-ZETCQYMHSA-N
XLogP0.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-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 (2S)-2-(2-fluoroethyl)-1-methylpiperazine?
The IUPAC name of (2S)-2-(2-fluoroethyl)-1-methylpiperazine (CID 124660399) is (2S)-2-(2-fluoroethyl)-1-methylpiperazine.
What is the SMILES notation for (2S)-2-(2-fluoroethyl)-1-methylpiperazine?
The canonical SMILES for (2S)-2-(2-fluoroethyl)-1-methylpiperazine is CN1CCNC[C@@H]1CCF.
What is the InChIKey of (2S)-2-(2-fluoroethyl)-1-methylpiperazine?
The InChIKey is ZGOJINIQMQDGOU-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15FN2/c1-10-5-4-9-6-7(10)2-3-8/h7,9H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-(2-fluoroethyl)-1-methylpiperazine?
(2S)-2-(2-fluoroethyl)-1-methylpiperazine has a molecular weight of 146.21 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluoroethyl)-1-methylpiperazine is sourced from PubChem (CID 124660399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).