1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine

C12H19N3O2 — CID 84700154

IUPAC1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine
SMILESCOc1cc(CN2CCNCC2)cc(OC)n1
InChIInChI=1S/C12H19N3O2/c1-16-11-7-10(8-12(14-11)17-2)9-15-5-3-13-4-6-15/h7-8,13H,3-6,9H2,1-2H3
InChIKeyOUXCTZKGSIVQJE-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.50
Rot. Bonds4

About 1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine

1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine (PubChem CID 84700154) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine
PubChem CID84700154
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine
SMILESCOc1cc(CN2CCNCC2)cc(OC)n1
InChIInChI=1S/C12H19N3O2/c1-16-11-7-10(8-12(14-11)17-2)9-15-5-3-13-4-6-15/h7-8,13H,3-6,9H2,1-2H3
InChIKeyOUXCTZKGSIVQJE-UHFFFAOYSA-N
XLogP0.50
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine
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1-[(3-fluoro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 83842778
1-[(3-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390262
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CID 117353440
1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117411213
1-[(5-methoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 83890066
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 65483646
N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride
CID 17221317
azane;1-benzylpiperazine
CID 174866973

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine (CID 84700154) is 1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine is COc1cc(CN2CCNCC2)cc(OC)n1.
What is the InChIKey of 1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine?
The InChIKey is OUXCTZKGSIVQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-16-11-7-10(8-12(14-11)17-2)9-15-5-3-13-4-6-15/h7-8,13H,3-6,9H2,1-2H3.
What are the key properties of 1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine?
1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine has a molecular weight of 237.30 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine is sourced from PubChem (CID 84700154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).