3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine

C18H27F3N4O — CID 58747957

IUPAC3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESCC(C)N1CCC(OC2CCN(c3ccc(C(F)(F)F)nn3)CC2)CC1
InChIInChI=1S/C18H27F3N4O/c1-13(2)24-9-5-14(6-10-24)26-15-7-11-25(12-8-15)17-4-3-16(22-23-17)18(19,20)21/h3-4,13-15H,5-12H2,1-2H3
InChIKeyFHFVWWQXKNQESI-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.35
Rot. Bonds4

About 3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine

3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine (PubChem CID 58747957) has the molecular formula C18H27F3N4O and a molecular weight of 372.44 g/mol. Its IUPAC name is 3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine
PubChem CID58747957
Molecular FormulaC18H27F3N4O
Molecular Weight372.44 g/mol
Exact Mass372.21
IUPAC Name3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESCC(C)N1CCC(OC2CCN(c3ccc(C(F)(F)F)nn3)CC2)CC1
InChIInChI=1S/C18H27F3N4O/c1-13(2)24-9-5-14(6-10-24)26-15-7-11-25(12-8-15)17-4-3-16(22-23-17)18(19,20)21/h3-4,13-15H,5-12H2,1-2H3
InChIKeyFHFVWWQXKNQESI-UHFFFAOYSA-N
XLogP3.35
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxypropyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 72144295
3-(6-Methylpyridazin-3-yl)-9-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane
CID 97450437
3-(6-Methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane
CID 118742751
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-(6-Methylpyridazin-3-yl)-9-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 118742748
3-(6-Methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 118742750
3-[4-(2-Methylpropoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridazine
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
CID 11646684
3-[4-[(1-Propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine
CID 11660708
3-{4-[(1-Cyclobutyl-4-piperidinyl)oxy]-1-piperidinyl}-6-(trifluoromethyl)pyridazine hydrochloride
CID 69354884

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine (CID 58747957) is 3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine is CC(C)N1CCC(OC2CCN(c3ccc(C(F)(F)F)nn3)CC2)CC1.
What is the InChIKey of 3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine?
The InChIKey is FHFVWWQXKNQESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N4O/c1-13(2)24-9-5-14(6-10-24)26-15-7-11-25(12-8-15)17-4-3-16(22-23-17)18(19,20)21/h3-4,13-15H,5-12H2,1-2H3.
What are the key properties of 3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine?
3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine has a molecular weight of 372.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 58747957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).