3-tert-butyl-6-[(3R)-piperidin-3-yl]oxypyridazine

C13H21N3O — CID 145198145

IUPAC3-tert-butyl-6-[(3R)-piperidin-3-yl]oxypyridazine
SMILESCC(C)(C)c1ccc(O[C@@H]2CCCNC2)nn1
InChIInChI=1S/C13H21N3O/c1-13(2,3)11-6-7-12(16-15-11)17-10-5-4-8-14-9-10/h6-7,10,14H,4-5,8-9H2,1-3H3/t10-/m1/s1
InChIKeyDWLJBXGVBIOZEJ-SNVBAGLBSA-N
MW235.33 g/mol
LogP1.90
Rot. Bonds2

About 3-tert-butyl-6-[(3R)-piperidin-3-yl]oxypyridazine

3-tert-butyl-6-[(3R)-piperidin-3-yl]oxypyridazine (PubChem CID 145198145) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-tert-butyl-6-[(3R)-piperidin-3-yl]oxypyridazine.

Molecular Properties

Compound Name3-tert-butyl-6-[(3R)-piperidin-3-yl]oxypyridazine
PubChem CID145198145
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-tert-butyl-6-[(3R)-piperidin-3-yl]oxypyridazine
SMILESCC(C)(C)c1ccc(O[C@@H]2CCCNC2)nn1
InChIInChI=1S/C13H21N3O/c1-13(2,3)11-6-7-12(16-15-11)17-10-5-4-8-14-9-10/h6-7,10,14H,4-5,8-9H2,1-3H3/t10-/m1/s1
InChIKeyDWLJBXGVBIOZEJ-SNVBAGLBSA-N
XLogP1.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-6-pyrrolidin-3-yloxypyridazine
CID 134595575
5-methyl-2-[(3S)-piperidin-3-yl]oxypyridine
CID 66246612
3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine
CID 71638804
3-piperidin-3-yloxy-6-pyridin-2-ylpyridazine
CID 130229783
3-(4-tert-butylphenoxy)piperidine;molecular hydrogen
CID 144656061
3-chloro-6-pyrrolidin-3-yloxypyridazine
CID 62349337
5-fluoro-2-[(3S)-piperidin-3-yl]oxypyridine
CID 66247992
2-methyl-6-[(3R)-piperidin-3-yl]oxypyridine
CID 94407048
5-bromo-2-[(3R)-piperidin-3-yl]oxypyridine
CID 71636380
2-methoxy-6-[(3R)-piperidin-3-yl]oxypyridine
CID 96644678
6-[(3S)-piperidin-3-yl]oxypyridin-3-amine
CID 170900649
5-bromo-2-piperidin-3-yloxypyridine;hydrochloride
CID 71636384

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-[(3R)-piperidin-3-yl]oxypyridazine?
The IUPAC name of 3-tert-butyl-6-[(3R)-piperidin-3-yl]oxypyridazine (CID 145198145) is 3-tert-butyl-6-[(3R)-piperidin-3-yl]oxypyridazine.
What is the SMILES notation for 3-tert-butyl-6-[(3R)-piperidin-3-yl]oxypyridazine?
The canonical SMILES for 3-tert-butyl-6-[(3R)-piperidin-3-yl]oxypyridazine is CC(C)(C)c1ccc(O[C@@H]2CCCNC2)nn1.
What is the InChIKey of 3-tert-butyl-6-[(3R)-piperidin-3-yl]oxypyridazine?
The InChIKey is DWLJBXGVBIOZEJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)11-6-7-12(16-15-11)17-10-5-4-8-14-9-10/h6-7,10,14H,4-5,8-9H2,1-3H3/t10-/m1/s1.
What are the key properties of 3-tert-butyl-6-[(3R)-piperidin-3-yl]oxypyridazine?
3-tert-butyl-6-[(3R)-piperidin-3-yl]oxypyridazine has a molecular weight of 235.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-[(3R)-piperidin-3-yl]oxypyridazine is sourced from PubChem (CID 145198145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).