(4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone

C12H17N3O3 — CID 139006520

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C)(O)CC2)nn1
InChIInChI=1S/C12H17N3O3/c1-12(17)5-7-15(8-6-12)11(16)9-3-4-10(18-2)14-13-9/h3-4,17H,5-8H2,1-2H3
InChIKeyPCLAUKHNWXXNEF-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.47
Rot. Bonds2

About (4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone

(4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone (PubChem CID 139006520) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone
PubChem CID139006520
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C)(O)CC2)nn1
InChIInChI=1S/C12H17N3O3/c1-12(17)5-7-15(8-6-12)11(16)9-3-4-10(18-2)14-13-9/h3-4,17H,5-8H2,1-2H3
InChIKeyPCLAUKHNWXXNEF-UHFFFAOYSA-N
XLogP0.47
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone (CID 139006520) is (4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone is COc1ccc(C(=O)N2CCC(C)(O)CC2)nn1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone?
The InChIKey is PCLAUKHNWXXNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(17)5-7-15(8-6-12)11(16)9-3-4-10(18-2)14-13-9/h3-4,17H,5-8H2,1-2H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone has a molecular weight of 251.29 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone is sourced from PubChem (CID 139006520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).