2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C16H22F2N2O — CID 79916181

IUPAC2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1CN2CCCCC2CN1c1ccccc1OC(F)F
InChIInChI=1S/C16H22F2N2O/c1-12-10-19-9-5-4-6-13(19)11-20(12)14-7-2-3-8-15(14)21-16(17)18/h2-3,7-8,12-13,16H,4-6,9-11H2,1H3
InChIKeyRSTMLANPCAINKU-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.35
Rot. Bonds3

About 2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79916181) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79916181
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1CN2CCCCC2CN1c1ccccc1OC(F)F
InChIInChI=1S/C16H22F2N2O/c1-12-10-19-9-5-4-6-13(19)11-20(12)14-7-2-3-8-15(14)21-16(17)18/h2-3,7-8,12-13,16H,4-6,9-11H2,1H3
InChIKeyRSTMLANPCAINKU-UHFFFAOYSA-N
XLogP3.35
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol
CID 79931487
(1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol
CID 103960264
2-(2,3-dichlorophenyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925914
(1S)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 103959030
2-chloro-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)aniline
CID 104834718
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine
CID 104540566
2-(2,5-dimethoxyphenyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916612
1-[2-(difluoromethoxy)phenyl]-2-ethynylazetidine
CID 166721634
1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one
CID 54975439
1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 115995355
2-bromo-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)benzoic acid
CID 114888336
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79923603

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79916181) is 2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CC1CN2CCCCC2CN1c1ccccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is RSTMLANPCAINKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-12-10-19-9-5-4-6-13(19)11-20(12)14-7-2-3-8-15(14)21-16(17)18/h2-3,7-8,12-13,16H,4-6,9-11H2,1H3.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 296.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79916181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).