3-[4-(2-methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine

C14H20F3N3O — CID 136519197

IUPAC3-[4-(2-methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESCC(C)COC1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C14H20F3N3O/c1-10(2)9-21-11-5-7-20(8-6-11)13-4-3-12(18-19-13)14(15,16)17/h3-4,10-11H,5-9H2,1-2H3
InChIKeyLJQQBXFSOCXCQR-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.14
Rot. Bonds4

About 3-[4-(2-methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine

3-[4-(2-methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine (PubChem CID 136519197) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-[4-(2-methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-[4-(2-methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine
PubChem CID136519197
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name3-[4-(2-methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESCC(C)COC1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C14H20F3N3O/c1-10(2)9-21-11-5-7-20(8-6-11)13-4-3-12(18-19-13)14(15,16)17/h3-4,10-11H,5-9H2,1-2H3
InChIKeyLJQQBXFSOCXCQR-UHFFFAOYSA-N
XLogP3.14
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 72144295
(4aR,7aS)-6-(cyclopropylmethyl)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97377511
2-(2-Methylpropoxy)-7-(6-methylpyridazin-3-yl)-7-azaspiro[3.5]nonane
CID 97385684
(4aR,7aS)-4-(cyclopropylmethyl)-6-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97402785
4-(6-Phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine
CID 56876445
2-Methylpropyl 4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 84592829
N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine
CID 99838529
3-[4-(1-Cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine
CID 11646684
Tert-butyl 4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 53485513
3-(4-{[1-(1-Methylethyl)-4-piperidinyl]oxy}-1-piperidinyl)-6-(trifluoromethyl)pyridazine
CID 58747957
N-[1-(cyclopentylmethyl)piperidin-4-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
CID 66878974
3-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]-6-methylpyridazine
CID 67965084

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-[4-(2-methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine (CID 136519197) is 3-[4-(2-methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-[4-(2-methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-[4-(2-methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine is CC(C)COC1CCN(c2ccc(C(F)(F)F)nn2)CC1.
What is the InChIKey of 3-[4-(2-methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine?
The InChIKey is LJQQBXFSOCXCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-10(2)9-21-11-5-7-20(8-6-11)13-4-3-12(18-19-13)14(15,16)17/h3-4,10-11H,5-9H2,1-2H3.
What are the key properties of 3-[4-(2-methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine?
3-[4-(2-methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine has a molecular weight of 303.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 136519197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).