2-(cyclohexa-1,3-dien-1-ylmethyl)-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine

C15H22F2N2 — CID 142443061

IUPAC2-(cyclohexa-1,3-dien-1-ylmethyl)-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine
SMILESFC1(F)CCN2CCN(CC3=CC=CCC3)CC2C1
InChIInChI=1S/C15H22F2N2/c16-15(17)6-7-19-9-8-18(12-14(19)10-15)11-13-4-2-1-3-5-13/h1-2,4,14H,3,5-12H2
InChIKeyKXWKKPYMBVWPPS-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.68
Rot. Bonds2

About 2-(cyclohexa-1,3-dien-1-ylmethyl)-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine

2-(cyclohexa-1,3-dien-1-ylmethyl)-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine (PubChem CID 142443061) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-(cyclohexa-1,3-dien-1-ylmethyl)-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(cyclohexa-1,3-dien-1-ylmethyl)-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine
PubChem CID142443061
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name2-(cyclohexa-1,3-dien-1-ylmethyl)-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine
SMILESFC1(F)CCN2CCN(CC3=CC=CCC3)CC2C1
InChIInChI=1S/C15H22F2N2/c16-15(17)6-7-19-9-8-18(12-14(19)10-15)11-13-4-2-1-3-5-13/h1-2,4,14H,3,5-12H2
InChIKeyKXWKKPYMBVWPPS-UHFFFAOYSA-N
XLogP2.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.68
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)-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine?
The IUPAC name of 2-(cyclohexa-1,3-dien-1-ylmethyl)-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine (CID 142443061) is 2-(cyclohexa-1,3-dien-1-ylmethyl)-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(cyclohexa-1,3-dien-1-ylmethyl)-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(cyclohexa-1,3-dien-1-ylmethyl)-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine is FC1(F)CCN2CCN(CC3=CC=CCC3)CC2C1.
What is the InChIKey of 2-(cyclohexa-1,3-dien-1-ylmethyl)-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine?
The InChIKey is KXWKKPYMBVWPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c16-15(17)6-7-19-9-8-18(12-14(19)10-15)11-13-4-2-1-3-5-13/h1-2,4,14H,3,5-12H2.
What are the key properties of 2-(cyclohexa-1,3-dien-1-ylmethyl)-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine?
2-(cyclohexa-1,3-dien-1-ylmethyl)-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine has a molecular weight of 268.35 g/mol, XLogP of 2.68, 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)-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine is sourced from PubChem (CID 142443061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).