(E)-1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine

C19H23ClN4O2 — CID 11820820

IUPAC(E)-1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
SMILESCO/N=C/c1ccc(OCCC2CCN(c3cnc(Cl)cn3)CC2)cc1
InChIInChI=1S/C19H23ClN4O2/c1-25-23-12-16-2-4-17(5-3-16)26-11-8-15-6-9-24(10-7-15)19-14-21-18(20)13-22-19/h2-5,12-15H,6-11H2,1H3/b23-12+
InChIKeyKARSZOWAQSJNBF-FSJBWODESA-N
MW374.87 g/mol
LogP3.80
Rot. Bonds7

About (E)-1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine

(E)-1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine (PubChem CID 11820820) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is (E)-1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine.

Molecular Properties

Compound Name(E)-1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
PubChem CID11820820
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name(E)-1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
SMILESCO/N=C/c1ccc(OCCC2CCN(c3cnc(Cl)cn3)CC2)cc1
InChIInChI=1S/C19H23ClN4O2/c1-25-23-12-16-2-4-17(5-3-16)26-11-8-15-6-9-24(10-7-15)19-14-21-18(20)13-22-19/h2-5,12-15H,6-11H2,1H3/b23-12+
InChIKeyKARSZOWAQSJNBF-FSJBWODESA-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-[4-[2-[1-(5-chloropyrazin-2-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

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine?
The IUPAC name of (E)-1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine (CID 11820820) is (E)-1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine.
What is the SMILES notation for (E)-1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine?
The canonical SMILES for (E)-1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine is CO/N=C/c1ccc(OCCC2CCN(c3cnc(Cl)cn3)CC2)cc1.
What is the InChIKey of (E)-1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine?
The InChIKey is KARSZOWAQSJNBF-FSJBWODESA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-25-23-12-16-2-4-17(5-3-16)26-11-8-15-6-9-24(10-7-15)19-14-21-18(20)13-22-19/h2-5,12-15H,6-11H2,1H3/b23-12+.
What are the key properties of (E)-1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine?
(E)-1-[4-[2-[1-(5-chloropyrazin-2-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-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine is sourced from PubChem (CID 11820820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).