3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine

C22H27N5O — CID 155407269

IUPAC3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine
SMILESCc1nn(C)cc1-c1ccc(OCC2CCN(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C22H27N5O/c1-17-20(15-26(2)25-17)21-8-9-22(24-23-21)28-16-19-10-12-27(13-11-19)14-18-6-4-3-5-7-18/h3-9,15,19H,10-14,16H2,1-2H3
InChIKeyTWZNLRPOYURCOB-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.48
Rot. Bonds6

About 3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine

3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine (PubChem CID 155407269) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine.

Molecular Properties

Compound Name3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine
PubChem CID155407269
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine
SMILESCc1nn(C)cc1-c1ccc(OCC2CCN(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C22H27N5O/c1-17-20(15-26(2)25-17)21-8-9-22(24-23-21)28-16-19-10-12-27(13-11-19)14-18-6-4-3-5-7-18/h3-9,15,19H,10-14,16H2,1-2H3
InChIKeyTWZNLRPOYURCOB-UHFFFAOYSA-N
XLogP3.48
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142563551
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
5-[(1-benzylpiperidin-4-yl)methoxy]-2-chloro-[1,3]thiazolo[5,4-b]pyridine
CID 131985348
2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
CID 166602497
2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine
CID 154580959
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine
CID 165434594
N-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine
CID 59867557
2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 163352787
6-[(1-benzylpiperidin-4-yl)methoxy]-7-(4-chlorophenyl)-8-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 143380238
2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine
CID 165434595
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine
CID 10938587

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine?
The IUPAC name of 3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine (CID 155407269) is 3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine.
What is the SMILES notation for 3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine?
The canonical SMILES for 3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine is Cc1nn(C)cc1-c1ccc(OCC2CCN(Cc3ccccc3)CC2)nn1.
What is the InChIKey of 3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine?
The InChIKey is TWZNLRPOYURCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-17-20(15-26(2)25-17)21-8-9-22(24-23-21)28-16-19-10-12-27(13-11-19)14-18-6-4-3-5-7-18/h3-9,15,19H,10-14,16H2,1-2H3.
What are the key properties of 3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine?
3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine has a molecular weight of 377.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine is sourced from PubChem (CID 155407269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).