2-(4-tert-butylpiperazin-1-yl)-6-(chloromethyl)pyrazine

C13H21ClN4 — CID 66467101

IUPAC2-(4-tert-butylpiperazin-1-yl)-6-(chloromethyl)pyrazine
SMILESCC(C)(C)N1CCN(c2cncc(CCl)n2)CC1
InChIInChI=1S/C13H21ClN4/c1-13(2,3)18-6-4-17(5-7-18)12-10-15-9-11(8-14)16-12/h9-10H,4-8H2,1-3H3
InChIKeyGEXPQZYWHPFGCG-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.14
Rot. Bonds2

About 2-(4-tert-butylpiperazin-1-yl)-6-(chloromethyl)pyrazine

2-(4-tert-butylpiperazin-1-yl)-6-(chloromethyl)pyrazine (PubChem CID 66467101) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-6-(chloromethyl)pyrazine.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-6-(chloromethyl)pyrazine
PubChem CID66467101
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-6-(chloromethyl)pyrazine
SMILESCC(C)(C)N1CCN(c2cncc(CCl)n2)CC1
InChIInChI=1S/C13H21ClN4/c1-13(2,3)18-6-4-17(5-7-18)12-10-15-9-11(8-14)16-12/h9-10H,4-8H2,1-3H3
InChIKeyGEXPQZYWHPFGCG-UHFFFAOYSA-N
XLogP2.14
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-6-(chloromethyl)pyrazine?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-6-(chloromethyl)pyrazine (CID 66467101) is 2-(4-tert-butylpiperazin-1-yl)-6-(chloromethyl)pyrazine.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-6-(chloromethyl)pyrazine?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-6-(chloromethyl)pyrazine is CC(C)(C)N1CCN(c2cncc(CCl)n2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-6-(chloromethyl)pyrazine?
The InChIKey is GEXPQZYWHPFGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-13(2,3)18-6-4-17(5-7-18)12-10-15-9-11(8-14)16-12/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-6-(chloromethyl)pyrazine?
2-(4-tert-butylpiperazin-1-yl)-6-(chloromethyl)pyrazine has a molecular weight of 268.79 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-6-(chloromethyl)pyrazine is sourced from PubChem (CID 66467101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).