2-(cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine

C15H21FN2 — CID 142443820

IUPAC2-(cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine
SMILESFC1=CCN2CCN(CC3=CC=CCC3)CC2C1
InChIInChI=1S/C15H21FN2/c16-14-6-7-18-9-8-17(12-15(18)10-14)11-13-4-2-1-3-5-13/h1-2,4,6,15H,3,5,7-12H2
InChIKeyXOQBLHUDHLCDCG-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.51
Rot. Bonds2

About 2-(cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine

2-(cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine (PubChem CID 142443820) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 2-(cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine
PubChem CID142443820
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name2-(cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine
SMILESFC1=CCN2CCN(CC3=CC=CCC3)CC2C1
InChIInChI=1S/C15H21FN2/c16-14-6-7-18-9-8-17(12-15(18)10-14)11-13-4-2-1-3-5-13/h1-2,4,6,15H,3,5,7-12H2
InChIKeyXOQBLHUDHLCDCG-UHFFFAOYSA-N
XLogP2.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine (CID 142443820) is 2-(cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine is FC1=CCN2CCN(CC3=CC=CCC3)CC2C1.
What is the InChIKey of 2-(cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine?
The InChIKey is XOQBLHUDHLCDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c16-14-6-7-18-9-8-17(12-15(18)10-14)11-13-4-2-1-3-5-13/h1-2,4,6,15H,3,5,7-12H2.
What are the key properties of 2-(cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine?
2-(cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine has a molecular weight of 248.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 142443820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).