2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one

C15H25N3O2 — CID 114397088

IUPAC2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
SMILESCC(O)CCCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C15H25N3O2/c1-13(19)7-3-6-10-18-15(20)11-14(12-16-18)17-8-4-2-5-9-17/h11-13,19H,2-10H2,1H3
InChIKeyWMDKYYUTEGGORE-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.78
Rot. Bonds6

About 2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one

2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one (PubChem CID 114397088) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
PubChem CID114397088
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
SMILESCC(O)CCCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C15H25N3O2/c1-13(19)7-3-6-10-18-15(20)11-14(12-16-18)17-8-4-2-5-9-17/h11-13,19H,2-10H2,1H3
InChIKeyWMDKYYUTEGGORE-UHFFFAOYSA-N
XLogP1.78
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114397171
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114396804
2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394668
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396791
5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one
CID 114396148
2-(3-hydroxybutyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114396739
5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one
CID 114397515
2-(4-chlorobutyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114394284
2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97194937
2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
CID 72874397

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one (CID 114397088) is 2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one is CC(O)CCCCn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is WMDKYYUTEGGORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-13(19)7-3-6-10-18-15(20)11-14(12-16-18)17-8-4-2-5-9-17/h11-13,19H,2-10H2,1H3.
What are the key properties of 2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one?
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 279.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114397088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).