2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine

C15H16Cl2N4 — CID 103054050

IUPAC2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine
SMILESClc1ccc(N2CCN(Cc3cnc(Cl)cn3)CC2)cc1
InChIInChI=1S/C15H16Cl2N4/c16-12-1-3-14(4-2-12)21-7-5-20(6-8-21)11-13-9-19-15(17)10-18-13/h1-4,9-10H,5-8,11H2
InChIKeyZDHAMDDNLXJETL-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.11
Rot. Bonds3

About 2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine

2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine (PubChem CID 103054050) has the molecular formula C15H16Cl2N4 and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine
PubChem CID103054050
Molecular FormulaC15H16Cl2N4
Molecular Weight323.23 g/mol
Exact Mass322.08
IUPAC Name2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine
SMILESClc1ccc(N2CCN(Cc3cnc(Cl)cn3)CC2)cc1
InChIInChI=1S/C15H16Cl2N4/c16-12-1-3-14(4-2-12)21-7-5-20(6-8-21)11-13-9-19-15(17)10-18-13/h1-4,9-10H,5-8,11H2
InChIKeyZDHAMDDNLXJETL-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103054257
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2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine
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1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine
CID 133465721
5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine
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1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine
CID 103054322
[5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62419652
1-[(5-chloropyrazin-2-yl)methyl]piperidin-3-ol
CID 103054140
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine
CID 116518761
4-[(5-chloropyrazin-2-yl)methyl]-7,7-dimethyl-1,4-thiazepane
CID 107454427

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine?
The IUPAC name of 2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine (CID 103054050) is 2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine is Clc1ccc(N2CCN(Cc3cnc(Cl)cn3)CC2)cc1.
What is the InChIKey of 2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine?
The InChIKey is ZDHAMDDNLXJETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4/c16-12-1-3-14(4-2-12)21-7-5-20(6-8-21)11-13-9-19-15(17)10-18-13/h1-4,9-10H,5-8,11H2.
What are the key properties of 2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine?
2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine has a molecular weight of 323.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine is sourced from PubChem (CID 103054050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).