[1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine

C11H17ClN4O — CID 112622877

IUPAC[1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(c2ccc(Cl)nn2)C(CN)C1
InChIInChI=1S/C11H17ClN4O/c1-17-9-4-5-16(8(6-9)7-13)11-3-2-10(12)14-15-11/h2-3,8-9H,4-7,13H2,1H3
InChIKeyVRHUWVRYWVEBCA-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.07
Rot. Bonds3

About [1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine

[1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine (PubChem CID 112622877) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is [1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine
PubChem CID112622877
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name[1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(c2ccc(Cl)nn2)C(CN)C1
InChIInChI=1S/C11H17ClN4O/c1-17-9-4-5-16(8(6-9)7-13)11-3-2-10(12)14-15-11/h2-3,8-9H,4-7,13H2,1H3
InChIKeyVRHUWVRYWVEBCA-UHFFFAOYSA-N
XLogP1.07
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine
CID 106504519
(4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine
CID 112622846
6-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pyridine-2-carboxamide
CID 112622854
3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine
CID 43216589
[1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine
CID 80506495
[4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine
CID 112622803
[4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine
CID 112622870
[1-(5-chloropyrimidin-4-yl)-4-methoxypiperidin-2-yl]methanamine
CID 105370102
6-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 115963854
[1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622776
(4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine
CID 115963850
[4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine
CID 115963930

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine (CID 112622877) is [1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine is COC1CCN(c2ccc(Cl)nn2)C(CN)C1.
What is the InChIKey of [1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is VRHUWVRYWVEBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-17-9-4-5-16(8(6-9)7-13)11-3-2-10(12)14-15-11/h2-3,8-9H,4-7,13H2,1H3.
What are the key properties of [1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine?
[1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 256.74 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 112622877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).