[(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol

C17H26N2O2 — CID 95735480

IUPAC[(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol
SMILESCOc1ccc(CN2C[C@@]3(C)CCCN3C[C@@H]2CO)cc1
InChIInChI=1S/C17H26N2O2/c1-17-8-3-9-19(17)11-15(12-20)18(13-17)10-14-4-6-16(21-2)7-5-14/h4-7,15,20H,3,8-13H2,1-2H3/t15-,17-/m1/s1
InChIKeyZUGGYBZWAOHVJU-NVXWUHKLSA-N
MW290.41 g/mol
LogP1.73
Rot. Bonds4

About [(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol

[(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol (PubChem CID 95735480) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol
PubChem CID95735480
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol
SMILESCOc1ccc(CN2C[C@@]3(C)CCCN3C[C@@H]2CO)cc1
InChIInChI=1S/C17H26N2O2/c1-17-8-3-9-19(17)11-15(12-20)18(13-17)10-14-4-6-16(21-2)7-5-14/h4-7,15,20H,3,8-13H2,1-2H3/t15-,17-/m1/s1
InChIKeyZUGGYBZWAOHVJU-NVXWUHKLSA-N
XLogP1.73
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol?
The IUPAC name of [(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol (CID 95735480) is [(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol.
What is the SMILES notation for [(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol?
The canonical SMILES for [(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol is COc1ccc(CN2C[C@@]3(C)CCCN3C[C@@H]2CO)cc1.
What is the InChIKey of [(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol?
The InChIKey is ZUGGYBZWAOHVJU-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17-8-3-9-19(17)11-15(12-20)18(13-17)10-14-4-6-16(21-2)7-5-14/h4-7,15,20H,3,8-13H2,1-2H3/t15-,17-/m1/s1.
What are the key properties of [(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol?
[(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol has a molecular weight of 290.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol is sourced from PubChem (CID 95735480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).