3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

C14H20N2 — CID 53395460

IUPAC3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESc1ccc(CC2CN3CCCC3CN2)cc1
InChIInChI=1S/C14H20N2/c1-2-5-12(6-3-1)9-13-11-16-8-4-7-14(16)10-15-13/h1-3,5-6,13-15H,4,7-11H2
InChIKeyFMZYVYGAYTZOHQ-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.67
Rot. Bonds2

About 3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (PubChem CID 53395460) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
PubChem CID53395460
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESc1ccc(CC2CN3CCCC3CN2)cc1
InChIInChI=1S/C14H20N2/c1-2-5-12(6-3-1)9-13-11-16-8-4-7-14(16)10-15-13/h1-3,5-6,13-15H,4,7-11H2
InChIKeyFMZYVYGAYTZOHQ-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 75994
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CID 118004
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1-Phenethylpiperazine
CID 79214
1-Methyl-3-phenylpiperazine
CID 2760009
1-(3-Phenylpropyl)piperazine
CID 796534
1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478
1-(2-Phenylethyl)piperidin-4-amine
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N,N'-Dibenzyl-3-aminopyrrolidine
CID 14098325
2-(2-Phenylethyl)piperidine
CID 5190919
1-Benzyl-2-methylpiperazine
CID 10442525
1-(1,4-Diphenylbutan-2-yl)piperazine
CID 44414856

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (CID 53395460) is 3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is c1ccc(CC2CN3CCCC3CN2)cc1.
What is the InChIKey of 3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The InChIKey is FMZYVYGAYTZOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-5-12(6-3-1)9-13-11-16-8-4-7-14(16)10-15-13/h1-3,5-6,13-15H,4,7-11H2.
What are the key properties of 3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine has a molecular weight of 216.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 53395460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).