2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine

C16H19ClN4 — CID 66466632

IUPAC2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine
SMILESCN1CCN(c2cncc(CCl)n2)C(c2ccccc2)C1
InChIInChI=1S/C16H19ClN4/c1-20-7-8-21(16-11-18-10-14(9-17)19-16)15(12-20)13-5-3-2-4-6-13/h2-6,10-11,15H,7-9,12H2,1H3
InChIKeyIZXFTMWABGTANS-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.71
Rot. Bonds3

About 2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine

2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine (PubChem CID 66466632) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine
PubChem CID66466632
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine
SMILESCN1CCN(c2cncc(CCl)n2)C(c2ccccc2)C1
InChIInChI=1S/C16H19ClN4/c1-20-7-8-21(16-11-18-10-14(9-17)19-16)15(12-20)13-5-3-2-4-6-13/h2-6,10-11,15H,7-9,12H2,1H3
InChIKeyIZXFTMWABGTANS-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.71
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-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine (CID 66466632) is 2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine is CN1CCN(c2cncc(CCl)n2)C(c2ccccc2)C1.
What is the InChIKey of 2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine?
The InChIKey is IZXFTMWABGTANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-20-7-8-21(16-11-18-10-14(9-17)19-16)15(12-20)13-5-3-2-4-6-13/h2-6,10-11,15H,7-9,12H2,1H3.
What are the key properties of 2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine?
2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine has a molecular weight of 302.81 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 66466632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).