2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrazine

C21H21ClN4O — CID 6482745

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrazine
SMILESCOc1cccc(-c2cncc(N3CCN(c4cccc(Cl)c4)CC3)n2)c1
InChIInChI=1S/C21H21ClN4O/c1-27-19-7-2-4-16(12-19)20-14-23-15-21(24-20)26-10-8-25(9-11-26)18-6-3-5-17(22)13-18/h2-7,12-15H,8-11H2,1H3
InChIKeyVQTQHKIGNADMRX-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.13
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrazine

2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrazine (PubChem CID 6482745) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrazine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrazine
PubChem CID6482745
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrazine
SMILESCOc1cccc(-c2cncc(N3CCN(c4cccc(Cl)c4)CC3)n2)c1
InChIInChI=1S/C21H21ClN4O/c1-27-19-7-2-4-16(12-19)20-14-23-15-21(24-20)26-10-8-25(9-11-26)18-6-3-5-17(22)13-18/h2-7,12-15H,8-11H2,1H3
InChIKeyVQTQHKIGNADMRX-UHFFFAOYSA-N
XLogP4.13
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrazine?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrazine (CID 6482745) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrazine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrazine?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrazine is COc1cccc(-c2cncc(N3CCN(c4cccc(Cl)c4)CC3)n2)c1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrazine?
The InChIKey is VQTQHKIGNADMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-27-19-7-2-4-16(12-19)20-14-23-15-21(24-20)26-10-8-25(9-11-26)18-6-3-5-17(22)13-18/h2-7,12-15H,8-11H2,1H3.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrazine?
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrazine has a molecular weight of 380.88 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methoxyphenyl)pyrazine is sourced from PubChem (CID 6482745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).