3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine

C16H27N5 — CID 171069967

IUPAC3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine
SMILESCc1ccc(N2CCN(CC3CCN(C)CC3)CC2)nn1
InChIInChI=1S/C16H27N5/c1-14-3-4-16(18-17-14)21-11-9-20(10-12-21)13-15-5-7-19(2)8-6-15/h3-4,15H,5-13H2,1-2H3
InChIKeyIMPNIYCBEZUJDR-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.25
Rot. Bonds3

About 3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine

3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine (PubChem CID 171069967) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine
PubChem CID171069967
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine
SMILESCc1ccc(N2CCN(CC3CCN(C)CC3)CC2)nn1
InChIInChI=1S/C16H27N5/c1-14-3-4-16(18-17-14)21-11-9-20(10-12-21)13-15-5-7-19(2)8-6-15/h3-4,15H,5-13H2,1-2H3
InChIKeyIMPNIYCBEZUJDR-UHFFFAOYSA-N
XLogP1.25
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 171070266
3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
CID 80670031
ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171069831
3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine
CID 133317757
1-(6-methylpyridazin-3-yl)piperidin-4-amine
CID 61311173
3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116
3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol
CID 19773570
3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane
CID 134072596
4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 171324110
ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171070111
2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile
CID 55218602
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342238

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine?
The IUPAC name of 3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine (CID 171069967) is 3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine?
The canonical SMILES for 3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine is Cc1ccc(N2CCN(CC3CCN(C)CC3)CC2)nn1.
What is the InChIKey of 3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine?
The InChIKey is IMPNIYCBEZUJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-14-3-4-16(18-17-14)21-11-9-20(10-12-21)13-15-5-7-19(2)8-6-15/h3-4,15H,5-13H2,1-2H3.
What are the key properties of 3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine?
3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine has a molecular weight of 289.43 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 171069967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).