3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol

C67H106N12O10 — CID 162212747

IUPAC3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol
SMILESCC(C)N1CCC(Oc2ccc(OCCO)nc2)CC1.CC(C)N1CCC(Oc2cccnn2)CC1.COc1ccnc(OC2CCN(C(C)C)CC2)c1.COc1ccnc(OC2CN(C(C)C)C2)c1.COc1nnc(OC2CCN(C(C)C)CC2)cc1C
InChIInChI=1S/C15H24N2O3.C14H23N3O2.C14H22N2O2.C12H19N3O.C12H18N2O2/c1-12(2)17-7-5-13(6-8-17)20-14-3-4-15(16-11-14)19-10-9-18;1-10(2)17-7-5-12(6-8-17)19-13-9-11(3)14(18-4)16-15-13;1-11(2)16-8-5-12(6-9-16)18-14-10-13(17-3)4-7-15-14;1-10(2)15-8-5-11(6-9-15)16-12-4-3-7-13-14-12;1-9(2)14-7-11(8-14)16-12-6-10(15-3)4-5-13-12/h3-4,11-13,18H,5-10H2,1-2H3;9-10,12H,5-8H2,1-4H3;4,7,10-12H,5-6,8-9H2,1-3H3;3-4,7,10-11H,5-6,8-9H2,1-2H3;4-6,9,11H,7-8H2,1-3H3
InChIKeyZTBJLRCNCMZUPJ-UHFFFAOYSA-N
MW1239.66 g/mol
LogP9.38
Rot. Bonds21

About 3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol

3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol (PubChem CID 162212747) has the molecular formula C67H106N12O10 and a molecular weight of 1239.66 g/mol. Its IUPAC name is 3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol
PubChem CID162212747
Molecular FormulaC67H106N12O10
Molecular Weight1239.66 g/mol
Exact Mass1238.82
IUPAC Name3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol
SMILESCC(C)N1CCC(Oc2ccc(OCCO)nc2)CC1.CC(C)N1CCC(Oc2cccnn2)CC1.COc1ccnc(OC2CCN(C(C)C)CC2)c1.COc1ccnc(OC2CN(C(C)C)C2)c1.COc1nnc(OC2CCN(C(C)C)CC2)cc1C
InChIInChI=1S/C15H24N2O3.C14H23N3O2.C14H22N2O2.C12H19N3O.C12H18N2O2/c1-12(2)17-7-5-13(6-8-17)20-14-3-4-15(16-11-14)19-10-9-18;1-10(2)17-7-5-12(6-8-17)19-13-9-11(3)14(18-4)16-15-13;1-11(2)16-8-5-12(6-9-16)18-14-10-13(17-3)4-7-15-14;1-10(2)15-8-5-11(6-9-15)16-12-4-3-7-13-14-12;1-9(2)14-7-11(8-14)16-12-6-10(15-3)4-5-13-12/h3-4,11-13,18H,5-10H2,1-2H3;9-10,12H,5-8H2,1-4H3;4,7,10-12H,5-6,8-9H2,1-3H3;3-4,7,10-11H,5-6,8-9H2,1-2H3;4-6,9,11H,7-8H2,1-3H3
InChIKeyZTBJLRCNCMZUPJ-UHFFFAOYSA-N
XLogP9.38
TPSA209.73 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001239.66
LogP ≤ 59.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Analyze 3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol with MolForge

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Related Compounds

2-Methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrazine;3-methoxy-6-(1-propan-2-ylazetidin-3-yl)oxypyridazine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;5-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrazine;2-(3-methyl-1-propan-2-ylazetidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxypyridine;2-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazine
CID 158810875
1-Tert-butyl-4-(6-methoxypyridazin-3-yl)oxypyrrolidin-3-amine;1-tert-butyl-4-pyridin-2-yloxypyrrolidin-3-amine;5-(1-tert-butylpyrrolidin-3-yl)oxy-3-chloro-2-methoxypyridine;3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol
CID 160181588
3-[4-(1-Tert-butylazetidin-3-yl)oxybut-1-ynyl]-6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridazine;2-[4-(1-tert-butylazetidin-3-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-[4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;5-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-3-[3-[(2-methylpropan-2-yl)oxy]propoxy]benzene;2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine
CID 160970933
5-[4-(1-Tert-butylazetidin-3-yl)oxybut-1-ynyl]-2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-(1-tert-butylazetidin-3-yl)oxy-5-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]pyridine;2-[4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;5-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene;3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridazine;2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-5-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine
CID 161265721

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol?
The IUPAC name of 3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol (CID 162212747) is 3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol is CC(C)N1CCC(Oc2ccc(OCCO)nc2)CC1.CC(C)N1CCC(Oc2cccnn2)CC1.COc1ccnc(OC2CCN(C(C)C)CC2)c1.COc1ccnc(OC2CN(C(C)C)C2)c1.COc1nnc(OC2CCN(C(C)C)CC2)cc1C.
What is the InChIKey of 3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol?
The InChIKey is ZTBJLRCNCMZUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.C14H23N3O2.C14H22N2O2.C12H19N3O.C12H18N2O2/c1-12(2)17-7-5-13(6-8-17)20-14-3-4-15(16-11-14)19-10-9-18;1-10(2)17-7-5-12(6-8-17)19-13-9-11(3)14(18-4)16-15-13;1-11(2)16-8-5-12(6-9-16)18-14-10-13(17-3)4-7-15-14;1-10(2)15-8-5-11(6-9-15)16-12-4-3-7-13-14-12;1-9(2)14-7-11(8-14)16-12-6-10(15-3)4-5-13-12/h3-4,11-13,18H,5-10H2,1-2H3;9-10,12H,5-8H2,1-4H3;4,7,10-12H,5-6,8-9H2,1-3H3;3-4,7,10-11H,5-6,8-9H2,1-2H3;4-6,9,11H,7-8H2,1-3H3.
What are the key properties of 3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol?
3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol has a molecular weight of 1239.66 g/mol, XLogP of 9.38, 21 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;4-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;4-methoxy-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-(1-propan-2-ylpiperidin-4-yl)oxypyridazine;2-[[5-(1-propan-2-ylpiperidin-4-yl)oxy-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 162212747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).