2-[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]ethanol

C19H26N4O — CID 110271595

IUPAC2-[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]ethanol
SMILESCN(c1ccccc1)c1ccc(CC2CCCN(CCO)C2)nn1
InChIInChI=1S/C19H26N4O/c1-22(18-7-3-2-4-8-18)19-10-9-17(20-21-19)14-16-6-5-11-23(15-16)12-13-24/h2-4,7-10,16,24H,5-6,11-15H2,1H3
InChIKeyAVVLOJBOQAIBID-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.49
Rot. Bonds6

About 2-[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]ethanol

2-[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]ethanol (PubChem CID 110271595) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]ethanol
PubChem CID110271595
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]ethanol
SMILESCN(c1ccccc1)c1ccc(CC2CCCN(CCO)C2)nn1
InChIInChI=1S/C19H26N4O/c1-22(18-7-3-2-4-8-18)19-10-9-17(20-21-19)14-16-6-5-11-23(15-16)12-13-24/h2-4,7-10,16,24H,5-6,11-15H2,1H3
InChIKeyAVVLOJBOQAIBID-UHFFFAOYSA-N
XLogP2.49
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]ethanol (CID 110271595) is 2-[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]ethanol is CN(c1ccccc1)c1ccc(CC2CCCN(CCO)C2)nn1.
What is the InChIKey of 2-[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]ethanol?
The InChIKey is AVVLOJBOQAIBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-22(18-7-3-2-4-8-18)19-10-9-17(20-21-19)14-16-6-5-11-23(15-16)12-13-24/h2-4,7-10,16,24H,5-6,11-15H2,1H3.
What are the key properties of 2-[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]ethanol?
2-[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]ethanol has a molecular weight of 326.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 110271595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).