3-(3-fluoro-1-methylpiperidin-4-yl)oxypyridazine

C10H14FN3O — CID 123763735

IUPAC3-(3-fluoro-1-methylpiperidin-4-yl)oxypyridazine
SMILESCN1CCC(Oc2cccnn2)C(F)C1
InChIInChI=1S/C10H14FN3O/c1-14-6-4-9(8(11)7-14)15-10-3-2-5-12-13-10/h2-3,5,8-9H,4,6-7H2,1H3
InChIKeyXXOGFBNVBDERMM-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.90
Rot. Bonds2

About 3-(3-fluoro-1-methylpiperidin-4-yl)oxypyridazine

3-(3-fluoro-1-methylpiperidin-4-yl)oxypyridazine (PubChem CID 123763735) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-(3-fluoro-1-methylpiperidin-4-yl)oxypyridazine.

Molecular Properties

Compound Name3-(3-fluoro-1-methylpiperidin-4-yl)oxypyridazine
PubChem CID123763735
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name3-(3-fluoro-1-methylpiperidin-4-yl)oxypyridazine
SMILESCN1CCC(Oc2cccnn2)C(F)C1
InChIInChI=1S/C10H14FN3O/c1-14-6-4-9(8(11)7-14)15-10-3-2-5-12-13-10/h2-3,5,8-9H,4,6-7H2,1H3
InChIKeyXXOGFBNVBDERMM-UHFFFAOYSA-N
XLogP0.90
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-1-methylpiperidin-4-yl)oxypyridazine?
The IUPAC name of 3-(3-fluoro-1-methylpiperidin-4-yl)oxypyridazine (CID 123763735) is 3-(3-fluoro-1-methylpiperidin-4-yl)oxypyridazine.
What is the SMILES notation for 3-(3-fluoro-1-methylpiperidin-4-yl)oxypyridazine?
The canonical SMILES for 3-(3-fluoro-1-methylpiperidin-4-yl)oxypyridazine is CN1CCC(Oc2cccnn2)C(F)C1.
What is the InChIKey of 3-(3-fluoro-1-methylpiperidin-4-yl)oxypyridazine?
The InChIKey is XXOGFBNVBDERMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-14-6-4-9(8(11)7-14)15-10-3-2-5-12-13-10/h2-3,5,8-9H,4,6-7H2,1H3.
What are the key properties of 3-(3-fluoro-1-methylpiperidin-4-yl)oxypyridazine?
3-(3-fluoro-1-methylpiperidin-4-yl)oxypyridazine has a molecular weight of 211.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-1-methylpiperidin-4-yl)oxypyridazine is sourced from PubChem (CID 123763735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).