2-Tert-butoxy 6-[2-[4-(2-fluorophenoxymethyl)piperidino]ethyl]pyrazine

HCID 22248016

Notes Reactions

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Basic information

Standard SMILES: CC(C)(C)Oc1cncc(CCN2CCC(COc3ccccc3F)CC2)n1
InChIKey: BGGIBYHTDGNQAD-UHFFFAOYSA-N
Molecular formula: C22H30FN3O2
Average molar mass: 387.5 g/mol

Names & identifiers

Preferred name: 2-Tert-butoxy 6-[2-[4-(2-fluorophenoxymethyl)piperidino]ethyl]pyrazine
IUPAC: 2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine

Names & synonyms

SCHEMBL1475052BGGIBYHTDGNQAD-UHFFFAOYSA-N2-tert-butoxy 6-[2-[4-(2-fluorophenoxymethyl)piperidino]ethyl]pyrazine2-tert-Butoxy-6-[2-[4-(2-fluorophenoxymethyl)piperidino]ethyl]pyrazine

Database identifiers

PubChem CID: 22248016

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 47.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 452

Related reactions

8 records

New reaction record

HRID 606218As productuspto-grants-2011_03

HRID 606238As reactantuspto-grants-2011_03

HRID 890084As productuspto-grants-2006_02

HRID 890101As reactantuspto-grants-2006_02

HRID 914872As productuspto-grants-2007_09

HRID 914892As reactantuspto-grants-2007_09

HRID 1136430As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2329990As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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