2-(4-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one

C16H27N3O2 — CID 106802616

IUPAC2-(4-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
SMILESCCC(O)CCCn1ncc(N2CCC(C)CC2)cc1=O
InChIInChI=1S/C16H27N3O2/c1-3-15(20)5-4-8-19-16(21)11-14(12-17-19)18-9-6-13(2)7-10-18/h11-13,15,20H,3-10H2,1-2H3
InChIKeyBFAUJFWRIWZBNW-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.03
Rot. Bonds6

About 2-(4-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one

2-(4-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one (PubChem CID 106802616) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(4-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
PubChem CID106802616
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(4-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
SMILESCCC(O)CCCn1ncc(N2CCC(C)CC2)cc1=O
InChIInChI=1S/C16H27N3O2/c1-3-15(20)5-4-8-19-16(21)11-14(12-17-19)18-9-6-13(2)7-10-18/h11-13,15,20H,3-10H2,1-2H3
InChIKeyBFAUJFWRIWZBNW-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(4-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one (CID 106802616) is 2-(4-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(4-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(4-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one is CCC(O)CCCn1ncc(N2CCC(C)CC2)cc1=O.
What is the InChIKey of 2-(4-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The InChIKey is BFAUJFWRIWZBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-15(20)5-4-8-19-16(21)11-14(12-17-19)18-9-6-13(2)7-10-18/h11-13,15,20H,3-10H2,1-2H3.
What are the key properties of 2-(4-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
2-(4-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one has a molecular weight of 293.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyhexyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 106802616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).