1-[6-(3-methoxy-3-methylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine

C13H22N4O — CID 107395284

IUPAC1-[6-(3-methoxy-3-methylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCCC(C)(OC)C2)nn1
InChIInChI=1S/C13H22N4O/c1-13(18-3)7-4-8-17(10-13)12-6-5-11(9-14-2)15-16-12/h5-6,14H,4,7-10H2,1-3H3
InChIKeyHHHTZXWDWKYGIH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.20
Rot. Bonds4

About 1-[6-(3-methoxy-3-methylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine

1-[6-(3-methoxy-3-methylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine (PubChem CID 107395284) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[6-(3-methoxy-3-methylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(3-methoxy-3-methylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine
PubChem CID107395284
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[6-(3-methoxy-3-methylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCCC(C)(OC)C2)nn1
InChIInChI=1S/C13H22N4O/c1-13(18-3)7-4-8-17(10-13)12-6-5-11(9-14-2)15-16-12/h5-6,14H,4,7-10H2,1-3H3
InChIKeyHHHTZXWDWKYGIH-UHFFFAOYSA-N
XLogP1.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 107395291
N-methyl-1-[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methanamine
CID 102745903
3-chloro-2-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)pyridine
CID 107394378
1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 107395388
N-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107395302
1-[6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]ethanol
CID 107393565
1-[6-(2,6-dimethylmorpholin-4-yl)pyridazin-3-yl]-N-methylmethanamine
CID 55054944
N-methyl-1-[6-[4-(2-methylpropyl)piperazin-1-yl]pyridazin-3-yl]methanamine
CID 62777120
2-(3-methoxy-3-methylpiperidin-1-yl)-6-propylpyridine-4-carboxylic acid
CID 107392992
[6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine
CID 65281689
1-[6-(3,3-dimethylmorpholin-4-yl)pyridazin-3-yl]-N-methylmethanamine
CID 62287376
4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine
CID 107394107

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methoxy-3-methylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(3-methoxy-3-methylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine (CID 107395284) is 1-[6-(3-methoxy-3-methylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(3-methoxy-3-methylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(3-methoxy-3-methylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine is CNCc1ccc(N2CCCC(C)(OC)C2)nn1.
What is the InChIKey of 1-[6-(3-methoxy-3-methylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine?
The InChIKey is HHHTZXWDWKYGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(18-3)7-4-8-17(10-13)12-6-5-11(9-14-2)15-16-12/h5-6,14H,4,7-10H2,1-3H3.
What are the key properties of 1-[6-(3-methoxy-3-methylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine?
1-[6-(3-methoxy-3-methylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine has a molecular weight of 250.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methoxy-3-methylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 107395284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).