2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine

C16H19ClN4 — CID 66466862

IUPAC2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine
SMILESClCc1cncc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C16H19ClN4/c17-10-15-11-18-12-16(19-15)21-8-6-20(7-9-21)13-14-4-2-1-3-5-14/h1-5,11-12H,6-10,13H2
InChIKeyBJNISXWAAQCXBY-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.54
Rot. Bonds4

About 2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine

2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine (PubChem CID 66466862) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine
PubChem CID66466862
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine
SMILESClCc1cncc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C16H19ClN4/c17-10-15-11-18-12-16(19-15)21-8-6-20(7-9-21)13-14-4-2-1-3-5-14/h1-5,11-12H,6-10,13H2
InChIKeyBJNISXWAAQCXBY-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-benzylpiperazin-1-yl)pyrazin-2-amine
CID 78988890
4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine
CID 66465504
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848
8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane
CID 66467792
1-benzyl-4-[4-(chloromethyl)-3-pyridinyl]piperazine
CID 105067248
2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine
CID 104918654
2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine
CID 110186182
3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane
CID 66466419
3-(4-benzylpiperazin-1-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945803
5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945981

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine (CID 66466862) is 2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine is ClCc1cncc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine?
The InChIKey is BJNISXWAAQCXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c17-10-15-11-18-12-16(19-15)21-8-6-20(7-9-21)13-14-4-2-1-3-5-14/h1-5,11-12H,6-10,13H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine?
2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine has a molecular weight of 302.81 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine is sourced from PubChem (CID 66466862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).