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

C19H23ClN4O2 — CID 5273113

IUPAC1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
SMILESCON=Cc1ccc(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
InChIKeyKARSZOWAQSJNBF-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.80
Rot. Bonds7

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

1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine (PubChem CID 5273113) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine.

Molecular Properties

Compound Name1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
PubChem CID5273113
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
SMILESCON=Cc1ccc(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
InChIKeyKARSZOWAQSJNBF-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine?
The IUPAC name of 1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine (CID 5273113) is 1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine.
What is the SMILES notation for 1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine?
The canonical SMILES for 1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine is CON=Cc1ccc(OCCC2CCN(c3cnc(Cl)cn3)CC2)cc1.
What is the InChIKey of 1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine?
The InChIKey is KARSZOWAQSJNBF-UHFFFAOYSA-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.
What are the key properties of 1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine?
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 1-[4-[2-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine is sourced from PubChem (CID 5273113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).