2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine

C16H19ClN4O — CID 72866776

IUPAC2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine
SMILESCOc1nccnc1N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H19ClN4O/c1-22-16-15(18-5-6-19-16)21-9-7-20(8-10-21)12-13-3-2-4-14(17)11-13/h2-6,11H,7-10,12H2,1H3
InChIKeyYPQISQKZBJFLLY-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.46
Rot. Bonds4

About 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine

2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine (PubChem CID 72866776) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine
PubChem CID72866776
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine
SMILESCOc1nccnc1N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H19ClN4O/c1-22-16-15(18-5-6-19-16)21-9-7-20(8-10-21)12-13-3-2-4-14(17)11-13/h2-6,11H,7-10,12H2,1H3
InChIKeyYPQISQKZBJFLLY-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole
CID 78805879
1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
CID 133358248
2-[4-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 141306618
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
methyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
CID 110399100
1-(3,5-dichloro-2-pyridinyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 112772605
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
CID 62047060
4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166601673
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1377032
1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepane
CID 764025

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine?
The IUPAC name of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine (CID 72866776) is 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine?
The canonical SMILES for 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine is COc1nccnc1N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine?
The InChIKey is YPQISQKZBJFLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-22-16-15(18-5-6-19-16)21-9-7-20(8-10-21)12-13-3-2-4-14(17)11-13/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine?
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine has a molecular weight of 318.81 g/mol, XLogP of 2.46, 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)methyl]piperazin-1-yl]-3-methoxypyrazine is sourced from PubChem (CID 72866776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).