(E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine

C18H21ClN4O2 — CID 11820879

IUPAC(E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine
SMILESCO/N=C/c1cccc(OCC2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C18H21ClN4O2/c1-24-20-12-15-3-2-4-16(11-15)25-13-14-7-9-23(10-8-14)18-6-5-17(19)21-22-18/h2-6,11-12,14H,7-10,13H2,1H3/b20-12+
InChIKeyFWUOOJUCYOSOIF-UDWIEESQSA-N
MW360.85 g/mol
LogP3.41
Rot. Bonds6

About (E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine

(E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine (PubChem CID 11820879) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is (E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine.

Molecular Properties

Compound Name(E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine
PubChem CID11820879
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name(E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine
SMILESCO/N=C/c1cccc(OCC2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C18H21ClN4O2/c1-24-20-12-15-3-2-4-16(11-15)25-13-14-7-9-23(10-8-14)18-6-5-17(19)21-22-18/h2-6,11-12,14H,7-10,13H2,1H3/b20-12+
InChIKeyFWUOOJUCYOSOIF-UDWIEESQSA-N
XLogP3.41
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine with MolForge

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Related Compounds

(E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
CID 11820910
1-[4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-prop-2-enoxymethanimine
CID 5273152
1-[3-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]phenyl]-N-prop-2-enoxymethanimine
CID 87905231
ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate
CID 14989326
3-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzaldehyde
CID 152762852
3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine
CID 43216589
methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate
CID 90086497
2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide
CID 54987893
6-[3-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 45275068
[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342103
[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
CID 94407878
methyl 3-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 71077920

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine?
The IUPAC name of (E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine (CID 11820879) is (E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine.
What is the SMILES notation for (E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine?
The canonical SMILES for (E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine is CO/N=C/c1cccc(OCC2CCN(c3ccc(Cl)nn3)CC2)c1.
What is the InChIKey of (E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine?
The InChIKey is FWUOOJUCYOSOIF-UDWIEESQSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-24-20-12-15-3-2-4-16(11-15)25-13-14-7-9-23(10-8-14)18-6-5-17(19)21-22-18/h2-6,11-12,14H,7-10,13H2,1H3/b20-12+.
What are the key properties of (E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine?
(E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine has a molecular weight of 360.85 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine is sourced from PubChem (CID 11820879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).