4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one

C11H17N3O2 — CID 107229402

IUPAC4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=c1cc(N2CCCC(CCO)C2)cn[nH]1
InChIInChI=1S/C11H17N3O2/c15-5-3-9-2-1-4-14(8-9)10-6-11(16)13-12-7-10/h6-7,9,15H,1-5,8H2,(H,13,16)
InChIKeyJUHNXTYLDDQPAL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.37
Rot. Bonds3

About 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one

4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 107229402) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID107229402
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=c1cc(N2CCCC(CCO)C2)cn[nH]1
InChIInChI=1S/C11H17N3O2/c15-5-3-9-2-1-4-14(8-9)10-6-11(16)13-12-7-10/h6-7,9,15H,1-5,8H2,(H,13,16)
InChIKeyJUHNXTYLDDQPAL-UHFFFAOYSA-N
XLogP0.37
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-propylazepan-1-yl)-1H-pyridazin-6-one
CID 114393178
4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one
CID 114393186
N-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide
CID 91906995
2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol
CID 57015018
4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 91906989
ethyl 1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxylate
CID 91654996
N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203801
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanol
CID 117025995
ethyl 1-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 95115378
4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 53203838
N'-[4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]-4-methyl-6-oxo-1H-pyridazine-5-carboximidamide
CID 142449575
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 114393138

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one (CID 107229402) is 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one is O=c1cc(N2CCCC(CCO)C2)cn[nH]1.
What is the InChIKey of 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is JUHNXTYLDDQPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-5-3-9-2-1-4-14(8-9)10-6-11(16)13-12-7-10/h6-7,9,15H,1-5,8H2,(H,13,16).
What are the key properties of 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one?
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 107229402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).