2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol

C12H19N3O — CID 57015018

IUPAC2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol
SMILESCc1cc(N2CCCC(CCO)C2)cnn1
InChIInChI=1S/C12H19N3O/c1-10-7-12(8-13-14-10)15-5-2-3-11(9-15)4-6-16/h7-8,11,16H,2-6,9H2,1H3
InChIKeyKSUOCVIVYSBUNK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.38
Rot. Bonds3

About 2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol

2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol (PubChem CID 57015018) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol
PubChem CID57015018
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol
SMILESCc1cc(N2CCCC(CCO)C2)cnn1
InChIInChI=1S/C12H19N3O/c1-10-7-12(8-13-14-10)15-5-2-3-11(9-15)4-6-16/h7-8,11,16H,2-6,9H2,1H3
InChIKeyKSUOCVIVYSBUNK-UHFFFAOYSA-N
XLogP1.38
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 107229402
2-[1-[4-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228576
2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol
CID 107227098
2-[1-(5-amino-3-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 107226933
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 105367514
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanol
CID 117025995
2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol
CID 117026004
2-[1-(2-amino-4-pyridinyl)piperidin-3-yl]ethanol
CID 107229186
2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107229203
2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol
CID 107227039
2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
CID 107227081

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol (CID 57015018) is 2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol is Cc1cc(N2CCCC(CCO)C2)cnn1.
What is the InChIKey of 2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol?
The InChIKey is KSUOCVIVYSBUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-7-12(8-13-14-10)15-5-2-3-11(9-15)4-6-16/h7-8,11,16H,2-6,9H2,1H3.
What are the key properties of 2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol?
2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 57015018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).