2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol

C19H26N4O2 — CID 137045913

IUPAC2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol
SMILESCC(C)(C)N1CCCC(Oc2cc(-c3ccccc3O)nnc2N)C1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)23-10-6-7-13(12-23)25-17-11-15(21-22-18(17)20)14-8-4-5-9-16(14)24/h4-5,8-9,11,13,24H,6-7,10,12H2,1-3H3,(H2,20,22)
InChIKeyQJFRCSAAXVHSJW-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.07
Rot. Bonds3

About 2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol

2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol (PubChem CID 137045913) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol
PubChem CID137045913
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol
SMILESCC(C)(C)N1CCCC(Oc2cc(-c3ccccc3O)nnc2N)C1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)23-10-6-7-13(12-23)25-17-11-15(21-22-18(17)20)14-8-4-5-9-16(14)24/h4-5,8-9,11,13,24H,6-7,10,12H2,1-3H3,(H2,20,22)
InChIKeyQJFRCSAAXVHSJW-UHFFFAOYSA-N
XLogP3.07
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-tert-butyl-3-(2-methylphenoxy)piperidine
CID 18712970
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
CID 162668961
3-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine
CID 18712952
2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol
CID 137029385
7-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxy-5-phenylpiperidin-1-yl]-N-[(2S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-7-oxoheptanamide
CID 167291675
4-(1-tert-butylpiperidin-3-yl)oxypyridine
CID 138636947
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol
CID 137291772
2-[6-amino-5-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenol
CID 152825660
2-(6-amino-5-methylpyridazin-3-yl)phenol
CID 145145780
2-(6-amino-5-cyclohexyloxypyridazin-3-yl)phenol;2-[(1Z)-1,4,4-triamino-3-[1-(1-phenylethyl)pyrazol-4-yl]buta-1,3-dienyl]phenol
CID 145145669
1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine
CID 138636935
4-(1-tert-butylpiperidin-3-yl)oxy-2-chloropyridine
CID 87418046

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol (CID 137045913) is 2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol is CC(C)(C)N1CCCC(Oc2cc(-c3ccccc3O)nnc2N)C1.
What is the InChIKey of 2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol?
The InChIKey is QJFRCSAAXVHSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,3)23-10-6-7-13(12-23)25-17-11-15(21-22-18(17)20)14-8-4-5-9-16(14)24/h4-5,8-9,11,13,24H,6-7,10,12H2,1-3H3,(H2,20,22).
What are the key properties of 2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol?
2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol has a molecular weight of 342.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol is sourced from PubChem (CID 137045913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).