2-(4-benzyl-2-ethylpiperazin-1-yl)-6-chloropyrazine

C17H21ClN4 — CID 18186916

IUPAC2-(4-benzyl-2-ethylpiperazin-1-yl)-6-chloropyrazine
SMILESCCC1CN(Cc2ccccc2)CCN1c1cncc(Cl)n1
InChIInChI=1S/C17H21ClN4/c1-2-15-13-21(12-14-6-4-3-5-7-14)8-9-22(15)17-11-19-10-16(18)20-17/h3-7,10-11,15H,2,8-9,12-13H2,1H3
InChIKeyQXAZYGJPBFWQSM-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.23
Rot. Bonds4

About 2-(4-benzyl-2-ethylpiperazin-1-yl)-6-chloropyrazine

2-(4-benzyl-2-ethylpiperazin-1-yl)-6-chloropyrazine (PubChem CID 18186916) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 2-(4-benzyl-2-ethylpiperazin-1-yl)-6-chloropyrazine.

Molecular Properties

Compound Name2-(4-benzyl-2-ethylpiperazin-1-yl)-6-chloropyrazine
PubChem CID18186916
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name2-(4-benzyl-2-ethylpiperazin-1-yl)-6-chloropyrazine
SMILESCCC1CN(Cc2ccccc2)CCN1c1cncc(Cl)n1
InChIInChI=1S/C17H21ClN4/c1-2-15-13-21(12-14-6-4-3-5-7-14)8-9-22(15)17-11-19-10-16(18)20-17/h3-7,10-11,15H,2,8-9,12-13H2,1H3
InChIKeyQXAZYGJPBFWQSM-UHFFFAOYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzyl-2-ethylpiperazin-1-yl)-6-chloropyrazine 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 2-(4-benzyl-2-ethylpiperazin-1-yl)-6-chloropyrazine?
The IUPAC name of 2-(4-benzyl-2-ethylpiperazin-1-yl)-6-chloropyrazine (CID 18186916) is 2-(4-benzyl-2-ethylpiperazin-1-yl)-6-chloropyrazine.
What is the SMILES notation for 2-(4-benzyl-2-ethylpiperazin-1-yl)-6-chloropyrazine?
The canonical SMILES for 2-(4-benzyl-2-ethylpiperazin-1-yl)-6-chloropyrazine is CCC1CN(Cc2ccccc2)CCN1c1cncc(Cl)n1.
What is the InChIKey of 2-(4-benzyl-2-ethylpiperazin-1-yl)-6-chloropyrazine?
The InChIKey is QXAZYGJPBFWQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-2-15-13-21(12-14-6-4-3-5-7-14)8-9-22(15)17-11-19-10-16(18)20-17/h3-7,10-11,15H,2,8-9,12-13H2,1H3.
What are the key properties of 2-(4-benzyl-2-ethylpiperazin-1-yl)-6-chloropyrazine?
2-(4-benzyl-2-ethylpiperazin-1-yl)-6-chloropyrazine has a molecular weight of 316.84 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2-ethylpiperazin-1-yl)-6-chloropyrazine is sourced from PubChem (CID 18186916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).