3-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine;hydrochloride

C19H28ClF3N4O — CID 69354884

IUPAC3-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)nn1
InChIInChI=1S/C19H27F3N4O.ClH/c20-19(21,22)17-4-5-18(24-23-17)26-12-8-16(9-13-26)27-15-6-10-25(11-7-15)14-2-1-3-14;/h4-5,14-16H,1-3,6-13H2;1H
InChIKeyABHMPAWKQNLCMU-UHFFFAOYSA-N
MW420.91 g/mol
LogP3.92
Rot. Bonds4

About 3-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine;hydrochloride

3-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine;hydrochloride (PubChem CID 69354884) has the molecular formula C19H28ClF3N4O and a molecular weight of 420.91 g/mol. Its IUPAC name is 3-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine;hydrochloride.

Molecular Properties

Compound Name3-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine;hydrochloride
PubChem CID69354884
Molecular FormulaC19H28ClF3N4O
Molecular Weight420.91 g/mol
Exact Mass420.19
IUPAC Name3-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)nn1
InChIInChI=1S/C19H27F3N4O.ClH/c20-19(21,22)17-4-5-18(24-23-17)26-12-8-16(9-13-26)27-15-6-10-25(11-7-15)14-2-1-3-14;/h4-5,14-16H,1-3,6-13H2;1H
InChIKeyABHMPAWKQNLCMU-UHFFFAOYSA-N
XLogP3.92
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.91
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 97450437
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CID 136519197
3-[4-[(1-Cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine
CID 11501830
3-[4-(1-Cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine
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3-(4-{[1-(1-Methylethyl)-4-piperidinyl]oxy}-1-piperidinyl)-6-(trifluoromethyl)pyridazine
CID 58747957
(3R,4S)-3-fluoro-1-(6-methylpyridazin-3-yl)piperidin-4-ol
CID 124116446
3,3-Difluoro-1-(6-methylpyridazin-3-yl)piperidin-4-ol
CID 124116458
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CID 174468323
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CID 51064042
1-[6-(Trifluoromethyl)pyridazin-3-yl]piperidin-4-ol
CID 51064078
N-methyl-1-(6-methylpyridazin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
CID 53608670
4-(6-Methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine
CID 56864534

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine;hydrochloride?
The IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine;hydrochloride (CID 69354884) is 3-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine;hydrochloride.
What is the SMILES notation for 3-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine;hydrochloride?
The canonical SMILES for 3-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine;hydrochloride is Cl.FC(F)(F)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)nn1.
What is the InChIKey of 3-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine;hydrochloride?
The InChIKey is ABHMPAWKQNLCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O.ClH/c20-19(21,22)17-4-5-18(24-23-17)26-12-8-16(9-13-26)27-15-6-10-25(11-7-15)14-2-1-3-14;/h4-5,14-16H,1-3,6-13H2;1H.
What are the key properties of 3-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine;hydrochloride?
3-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine;hydrochloride has a molecular weight of 420.91 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine;hydrochloride is sourced from PubChem (CID 69354884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).