(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

C14H21N3O — CID 124547773

IUPAC(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCc1cccc(CO[C@@H]2C[C@H]3CNCCN3C2)n1
InChIInChI=1S/C14H21N3O/c1-11-3-2-4-12(16-11)10-18-14-7-13-8-15-5-6-17(13)9-14/h2-4,13-15H,5-10H2,1H3/t13-,14+/m0/s1
InChIKeyPKHHPUDIVMQSLL-UONOGXRCSA-N
MW247.34 g/mol
LogP0.95
Rot. Bonds3

About (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (PubChem CID 124547773) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
PubChem CID124547773
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCc1cccc(CO[C@@H]2C[C@H]3CNCCN3C2)n1
InChIInChI=1S/C14H21N3O/c1-11-3-2-4-12(16-11)10-18-14-7-13-8-15-5-6-17(13)9-14/h2-4,13-15H,5-10H2,1H3/t13-,14+/m0/s1
InChIKeyPKHHPUDIVMQSLL-UONOGXRCSA-N
XLogP0.95
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7S,8aR)-7-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 124547772
2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine
CID 79261213
7-[(6-methyl-2-pyridinyl)methoxy]-2-(thiophen-3-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 131648149
(7R,8aR)-2-(furan-3-ylmethyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124520184
[(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone
CID 97458426
[(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-3-ylmethanone
CID 97386272
[(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridin-3-ylmethanone
CID 97458424
2-(cyclopropylmethyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155835260
4-[[(7S,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole
CID 134400328
7-[(6-methyl-2-pyridinyl)methoxy]-2-(thiophen-3-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155845166
2-(furan-3-ylmethyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 171696824
(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 (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (CID 124547773) is (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is Cc1cccc(CO[C@@H]2C[C@H]3CNCCN3C2)n1.
What is the InChIKey of (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The InChIKey is PKHHPUDIVMQSLL-UONOGXRCSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-3-2-4-12(16-11)10-18-14-7-13-8-15-5-6-17(13)9-14/h2-4,13-15H,5-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine has a molecular weight of 247.34 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 124547773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).