1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine

C18H23N3O — CID 172891684

IUPAC1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C18H23N3O/c1-22-18-9-5-8-17(19-18)15-21-12-10-20(11-13-21)14-16-6-3-2-4-7-16/h2-9H,10-15H2,1H3
InChIKeyFOOODCAETHVPII-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.41
Rot. Bonds5

About 1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine

1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine (PubChem CID 172891684) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine
PubChem CID172891684
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C18H23N3O/c1-22-18-9-5-8-17(19-18)15-21-12-10-20(11-13-21)14-16-6-3-2-4-7-16/h2-9H,10-15H2,1H3
InChIKeyFOOODCAETHVPII-UHFFFAOYSA-N
XLogP2.41
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
4-benzyl-N-[(6-methoxy-2-pyridinyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 110959756
2-methoxy-6-[(4-methoxy-4-phenylpiperidin-1-yl)methyl]pyridine
CID 163317237
4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 172891261
4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 172891269
4-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
CID 63992936
5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine
CID 63992937
2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile
CID 63984499
1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 63992335
2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine
CID 63984943
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
7-[(6-methoxy-2-pyridinyl)methyl]-5,6,8,9-tetrahydro-2H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
CID 91922376

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine (CID 172891684) is 1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine is COc1cccc(CN2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine?
The InChIKey is FOOODCAETHVPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-22-18-9-5-8-17(19-18)15-21-12-10-20(11-13-21)14-16-6-3-2-4-7-16/h2-9H,10-15H2,1H3.
What are the key properties of 1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine?
1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine has a molecular weight of 297.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 172891684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).