(E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine

C19H23ClN4O2 — CID 11820910

IUPAC(E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
SMILESCO/N=C/c1cccc(OCCC2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C19H23ClN4O2/c1-25-21-14-16-3-2-4-17(13-16)26-12-9-15-7-10-24(11-8-15)19-6-5-18(20)22-23-19/h2-6,13-15H,7-12H2,1H3/b21-14+
InChIKeyFZOFVBORIWTBSO-KGENOOAVSA-N
MW374.87 g/mol
LogP3.80
Rot. Bonds7

About (E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine

(E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine (PubChem CID 11820910) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is (E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine.

Molecular Properties

Compound Name(E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
PubChem CID11820910
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name(E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
SMILESCO/N=C/c1cccc(OCCC2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C19H23ClN4O2/c1-25-21-14-16-3-2-4-17(13-16)26-12-9-15-7-10-24(11-8-15)19-6-5-18(20)22-23-19/h2-6,13-15H,7-12H2,1H3/b21-14+
InChIKeyFZOFVBORIWTBSO-KGENOOAVSA-N
XLogP3.80
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.80
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-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-[3-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxymethanimine
CID 11820879
1-[3-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]phenyl]-N-prop-2-enoxymethanimine
CID 87905231
3-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzaldehyde
CID 152762852
N-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine
CID 87905257
1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
CID 5273130
(E)-N-ethoxy-1-[4-[2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]methanimine
CID 11820876
1-[4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-prop-2-enoxymethanimine
CID 5273152
6-[3-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 45275068
(E)-N-ethoxy-1-[4-[2-(1-pyridazin-3-ylpiperidin-4-yl)ethoxy]phenyl]methanimine
CID 11820871
(E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine
CID 11820832
3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine
CID 43216589
(E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine
CID 11820887

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine?
The IUPAC name of (E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine (CID 11820910) is (E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine.
What is the SMILES notation for (E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine?
The canonical SMILES for (E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine is CO/N=C/c1cccc(OCCC2CCN(c3ccc(Cl)nn3)CC2)c1.
What is the InChIKey of (E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine?
The InChIKey is FZOFVBORIWTBSO-KGENOOAVSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-25-21-14-16-3-2-4-17(13-16)26-12-9-15-7-10-24(11-8-15)19-6-5-18(20)22-23-19/h2-6,13-15H,7-12H2,1H3/b21-14+.
What are the key properties of (E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine?
(E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine has a molecular weight of 374.87 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine is sourced from PubChem (CID 11820910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).