7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

C15H22N2 — CID 123592991

IUPAC7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCc1ccc(C2CC3CNCCN3C2)c(C)c1
InChIInChI=1S/C15H22N2/c1-11-3-4-15(12(2)7-11)13-8-14-9-16-5-6-17(14)10-13/h3-4,7,13-14,16H,5-6,8-10H2,1-2H3
InChIKeyUDUXGOYVKPXBGP-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.06
Rot. Bonds1

About 7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (PubChem CID 123592991) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
PubChem CID123592991
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCc1ccc(C2CC3CNCCN3C2)c(C)c1
InChIInChI=1S/C15H22N2/c1-11-3-4-15(12(2)7-11)13-8-14-9-16-5-6-17(14)10-13/h3-4,7,13-14,16H,5-6,8-10H2,1-2H3
InChIKeyUDUXGOYVKPXBGP-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

3-(2,4-dimethylphenyl)piperidine
CID 10535662
3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 120858125
1-cyclopentyl-4-(2,4-dimethylphenyl)piperidine
CID 145201181
(2S)-2-(2,4-dimethylphenyl)piperazine
CID 55264314
4-(2,4-dimethylphenyl)-2,6-dimethylpiperidine
CID 142342615
(2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride
CID 171194638
3-[(7S,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-yl]-2-(5-chloro-2-pyridinyl)benzoic acid
CID 70245911
ethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 144967260
6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane
CID 83817723
(8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
CID 126622795
1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968440
(7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 138719509

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (CID 123592991) is 7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is Cc1ccc(C2CC3CNCCN3C2)c(C)c1.
What is the InChIKey of 7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The InChIKey is UDUXGOYVKPXBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-3-4-15(12(2)7-11)13-8-14-9-16-5-6-17(14)10-13/h3-4,7,13-14,16H,5-6,8-10H2,1-2H3.
What are the key properties of 7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine has a molecular weight of 230.36 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 123592991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).