1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol

C8H16N2O — CID 59215878

IUPAC1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol
SMILESOCC1CNCC2CCCN12
InChIInChI=1S/C8H16N2O/c11-6-8-5-9-4-7-2-1-3-10(7)8/h7-9,11H,1-6H2
InChIKeyPWLPKNYWXJOFKL-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.59
Rot. Bonds1

About 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol

1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol (PubChem CID 59215878) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol.

Molecular Properties

Compound Name1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol
PubChem CID59215878
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol
SMILESOCC1CNCC2CCCN12
InChIInChI=1S/C8H16N2O/c11-6-8-5-9-4-7-2-1-3-10(7)8/h7-9,11H,1-6H2
InChIKeyPWLPKNYWXJOFKL-UHFFFAOYSA-N
XLogP-0.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol
CID 84653848
[(3R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methanol
CID 169000645
[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137
[1-(azepan-4-yl)pyrrolidin-2-yl]methanol
CID 84668410
[(6S,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-6-yl]methanol
CID 131114768
(4-methyl-1-piperidin-3-ylpiperazin-2-yl)methanol
CID 83821353
[1-(oxetan-3-yl)piperazin-2-yl]methanol
CID 141386363
2-ethyl-1-pyrrolidin-3-ylpyrrolidine
CID 58468068
(4-methyl-1-pyrrolidin-3-ylpiperazin-2-yl)methanol
CID 83819174
(4-pyrrolidin-3-ylmorpholin-3-yl)methanol
CID 82405761
2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol
CID 130941698
N-methyl-1-(1-piperidin-3-ylpyrrolidin-2-yl)methanamine;hydrochloride
CID 131086453

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol?
The IUPAC name of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol (CID 59215878) is 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol.
What is the SMILES notation for 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol?
The canonical SMILES for 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol is OCC1CNCC2CCCN12.
What is the InChIKey of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol?
The InChIKey is PWLPKNYWXJOFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c11-6-8-5-9-4-7-2-1-3-10(7)8/h7-9,11H,1-6H2.
What are the key properties of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol?
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol has a molecular weight of 156.23 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol is sourced from PubChem (CID 59215878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).