3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol

C20H27N3O3 — CID 137197120

IUPAC3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
SMILESCOc1cc(O)ccc1-c1ccc(OC2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C20H27N3O3/c1-19(2)11-14(12-20(3,4)23-19)26-18-9-8-16(21-22-18)15-7-6-13(24)10-17(15)25-5/h6-10,14,23-24H,11-12H2,1-5H3
InChIKeyFWONNRIYJPNLSZ-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.55
Rot. Bonds4

About 3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol

3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol (PubChem CID 137197120) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol.

Molecular Properties

Compound Name3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
PubChem CID137197120
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
SMILESCOc1cc(O)ccc1-c1ccc(OC2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C20H27N3O3/c1-19(2)11-14(12-20(3,4)23-19)26-18-9-8-16(21-22-18)15-7-6-13(24)10-17(15)25-5/h6-10,14,23-24H,11-12H2,1-5H3
InChIKeyFWONNRIYJPNLSZ-UHFFFAOYSA-N
XLogP3.55
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol?
The IUPAC name of 3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol (CID 137197120) is 3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol.
What is the SMILES notation for 3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol?
The canonical SMILES for 3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol is COc1cc(O)ccc1-c1ccc(OC2CC(C)(C)NC(C)(C)C2)nn1.
What is the InChIKey of 3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol?
The InChIKey is FWONNRIYJPNLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-19(2)11-14(12-20(3,4)23-19)26-18-9-8-16(21-22-18)15-7-6-13(24)10-17(15)25-5/h6-10,14,23-24H,11-12H2,1-5H3.
What are the key properties of 3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol?
3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol has a molecular weight of 357.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol is sourced from PubChem (CID 137197120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).