1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine

C16H19N3O2 — CID 22640139

IUPAC1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine
SMILESCOc1ccc(Oc2cccc(N3CCNCC3)n2)cc1
InChIInChI=1S/C16H19N3O2/c1-20-13-5-7-14(8-6-13)21-16-4-2-3-15(18-16)19-11-9-17-10-12-19/h2-8,17H,9-12H2,1H3
InChIKeyXVZPJQSIGHQTCO-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.29
Rot. Bonds4

About 1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine

1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine (PubChem CID 22640139) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine
PubChem CID22640139
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine
SMILESCOc1ccc(Oc2cccc(N3CCNCC3)n2)cc1
InChIInChI=1S/C16H19N3O2/c1-20-13-5-7-14(8-6-13)21-16-4-2-3-15(18-16)19-11-9-17-10-12-19/h2-8,17H,9-12H2,1H3
InChIKeyXVZPJQSIGHQTCO-UHFFFAOYSA-N
XLogP2.29
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine (CID 22640139) is 1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine is COc1ccc(Oc2cccc(N3CCNCC3)n2)cc1.
What is the InChIKey of 1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine?
The InChIKey is XVZPJQSIGHQTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-20-13-5-7-14(8-6-13)21-16-4-2-3-15(18-16)19-11-9-17-10-12-19/h2-8,17H,9-12H2,1H3.
What are the key properties of 1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine?
1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine has a molecular weight of 285.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine is sourced from PubChem (CID 22640139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).