3-[4-[(1-cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine

C20H29F3N4 — CID 11501830

IUPAC3-[4-[(1-cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(N2CCC(CC3CCN(C4CCC4)CC3)CC2)nn1
InChIInChI=1S/C20H29F3N4/c21-20(22,23)18-4-5-19(25-24-18)27-12-8-16(9-13-27)14-15-6-10-26(11-7-15)17-2-1-3-17/h4-5,15-17H,1-3,6-14H2
InChIKeyUAIVAUOJPSJQDH-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.37
Rot. Bonds4

About 3-[4-[(1-cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine

3-[4-[(1-cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine (PubChem CID 11501830) has the molecular formula C20H29F3N4 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-[4-[(1-cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-[4-[(1-cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine
PubChem CID11501830
Molecular FormulaC20H29F3N4
Molecular Weight382.47 g/mol
Exact Mass382.23
IUPAC Name3-[4-[(1-cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(N2CCC(CC3CCN(C4CCC4)CC3)CC2)nn1
InChIInChI=1S/C20H29F3N4/c21-20(22,23)18-4-5-19(25-24-18)27-12-8-16(9-13-27)14-15-6-10-26(11-7-15)17-2-1-3-17/h4-5,15-17H,1-3,6-14H2
InChIKeyUAIVAUOJPSJQDH-UHFFFAOYSA-N
XLogP4.37
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-[4-[(1-cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine (CID 11501830) is 3-[4-[(1-cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-[4-[(1-cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-[4-[(1-cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine is FC(F)(F)c1ccc(N2CCC(CC3CCN(C4CCC4)CC3)CC2)nn1.
What is the InChIKey of 3-[4-[(1-cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine?
The InChIKey is UAIVAUOJPSJQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N4/c21-20(22,23)18-4-5-19(25-24-18)27-12-8-16(9-13-27)14-15-6-10-26(11-7-15)17-2-1-3-17/h4-5,15-17H,1-3,6-14H2.
What are the key properties of 3-[4-[(1-cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine?
3-[4-[(1-cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine has a molecular weight of 382.47 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-cyclobutylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 11501830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).