4-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-1-methylpiperazine

C12H17ClFN3 — CID 79727492

IUPAC4-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-1-methylpiperazine
SMILESCCC1CN(c2ncc(Cl)cc2F)CCN1C
InChIInChI=1S/C12H17ClFN3/c1-3-10-8-17(5-4-16(10)2)12-11(14)6-9(13)7-15-12/h6-7,10H,3-5,8H2,1-2H3
InChIKeyMYTAFCVJGQNMHO-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.40
Rot. Bonds2

About 4-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-1-methylpiperazine

4-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-1-methylpiperazine (PubChem CID 79727492) has the molecular formula C12H17ClFN3 and a molecular weight of 257.74 g/mol. Its IUPAC name is 4-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-1-methylpiperazine.

Molecular Properties

Compound Name4-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-1-methylpiperazine
PubChem CID79727492
Molecular FormulaC12H17ClFN3
Molecular Weight257.74 g/mol
Exact Mass257.11
IUPAC Name4-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-1-methylpiperazine
SMILESCCC1CN(c2ncc(Cl)cc2F)CCN1C
InChIInChI=1S/C12H17ClFN3/c1-3-10-8-17(5-4-16(10)2)12-11(14)6-9(13)7-15-12/h6-7,10H,3-5,8H2,1-2H3
InChIKeyMYTAFCVJGQNMHO-UHFFFAOYSA-N
XLogP2.40
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-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-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-1-methylpiperazine?
The IUPAC name of 4-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-1-methylpiperazine (CID 79727492) is 4-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-1-methylpiperazine.
What is the SMILES notation for 4-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-1-methylpiperazine?
The canonical SMILES for 4-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-1-methylpiperazine is CCC1CN(c2ncc(Cl)cc2F)CCN1C.
What is the InChIKey of 4-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-1-methylpiperazine?
The InChIKey is MYTAFCVJGQNMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3/c1-3-10-8-17(5-4-16(10)2)12-11(14)6-9(13)7-15-12/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of 4-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-1-methylpiperazine?
4-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-1-methylpiperazine has a molecular weight of 257.74 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-fluoro-2-pyridinyl)-2-ethyl-1-methylpiperazine is sourced from PubChem (CID 79727492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).