2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine;hydrochloride

C15H18Cl2N4O — CID 56972220

IUPAC2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine;hydrochloride
SMILESCl.Clc1cccc(COc2cncc(N3CCNCC3)n2)c1
InChIInChI=1S/C15H17ClN4O.ClH/c16-13-3-1-2-12(8-13)11-21-15-10-18-9-14(19-15)20-6-4-17-5-7-20;/h1-3,8-10,17H,4-7,11H2;1H
InChIKeyNMUNRTCTDLORDR-UHFFFAOYSA-N
MW341.24 g/mol
LogP2.54
Rot. Bonds4

About 2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine;hydrochloride

2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine;hydrochloride (PubChem CID 56972220) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine;hydrochloride.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine;hydrochloride
PubChem CID56972220
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine;hydrochloride
SMILESCl.Clc1cccc(COc2cncc(N3CCNCC3)n2)c1
InChIInChI=1S/C15H17ClN4O.ClH/c16-13-3-1-2-12(8-13)11-21-15-10-18-9-14(19-15)20-6-4-17-5-7-20;/h1-3,8-10,17H,4-7,11H2;1H
InChIKeyNMUNRTCTDLORDR-UHFFFAOYSA-N
XLogP2.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine;hydrochloride?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine;hydrochloride (CID 56972220) is 2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine;hydrochloride.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine;hydrochloride?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine;hydrochloride is Cl.Clc1cccc(COc2cncc(N3CCNCC3)n2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine;hydrochloride?
The InChIKey is NMUNRTCTDLORDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O.ClH/c16-13-3-1-2-12(8-13)11-21-15-10-18-9-14(19-15)20-6-4-17-5-7-20;/h1-3,8-10,17H,4-7,11H2;1H.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine;hydrochloride?
2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine;hydrochloride has a molecular weight of 341.24 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine;hydrochloride is sourced from PubChem (CID 56972220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).