[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C18H18F3N3O2 — CID 71799418

IUPAC[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C18H18F3N3O2/c1-12-6-7-16(23-22-12)26-13-8-10-24(11-9-13)17(25)14-4-2-3-5-15(14)18(19,20)21/h2-7,13H,8-11H2,1H3
InChIKeyRTSQULZNYOBEMV-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.49
Rot. Bonds3

About [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 71799418) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID71799418
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C18H18F3N3O2/c1-12-6-7-16(23-22-12)26-13-8-10-24(11-9-13)17(25)14-4-2-3-5-15(14)18(19,20)21/h2-7,13H,8-11H2,1H3
InChIKeyRTSQULZNYOBEMV-UHFFFAOYSA-N
XLogP3.49
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 71799418) is [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is Cc1ccc(OC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1.
What is the InChIKey of [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is RTSQULZNYOBEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-12-6-7-16(23-22-12)26-13-8-10-24(11-9-13)17(25)14-4-2-3-5-15(14)18(19,20)21/h2-7,13H,8-11H2,1H3.
What are the key properties of [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 365.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 71799418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).