2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C24H39N3O — CID 69466097

IUPAC2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESc1ccc(CN2CCN3CC(COCCCN4CCCCC4)CCC3C2)cc1
InChIInChI=1S/C24H39N3O/c1-3-8-22(9-4-1)18-26-15-16-27-19-23(10-11-24(27)20-26)21-28-17-7-14-25-12-5-2-6-13-25/h1,3-4,8-9,23-24H,2,5-7,10-21H2
InChIKeyRYZAHRUUMYWAIX-UHFFFAOYSA-N
MW385.60 g/mol
LogP3.48
Rot. Bonds8

About 2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 69466097) has the molecular formula C24H39N3O and a molecular weight of 385.60 g/mol. Its IUPAC name is 2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID69466097
Molecular FormulaC24H39N3O
Molecular Weight385.60 g/mol
Exact Mass385.31
IUPAC Name2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESc1ccc(CN2CCN3CC(COCCCN4CCCCC4)CCC3C2)cc1
InChIInChI=1S/C24H39N3O/c1-3-8-22(9-4-1)18-26-15-16-27-19-23(10-11-24(27)20-26)21-28-17-7-14-25-12-5-2-6-13-25/h1,3-4,8-9,23-24H,2,5-7,10-21H2
InChIKeyRYZAHRUUMYWAIX-UHFFFAOYSA-N
XLogP3.48
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(9aS)-2-[(4-fluorophenyl)methyl]-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 69465221
2-[(4-methoxyphenyl)methyl]-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 69469175
2-[(3-methoxyphenyl)methyl]-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 69466346
7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxymethyl]-2-[(4-methylsulfonylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 11540783
7-[3-(2,6-dimethylpiperidin-1-yl)propoxymethyl]-2-[(4-methylsulfonylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 11591276
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride
CID 23619896
(1S,5R)-3-[(4-chlorophenyl)methyl]-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 11631928
1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine
CID 61296822
3-[3-(4-phenylmethoxyphenyl)propoxymethyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 70078502
3-(naphthalen-2-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 73009617
2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine
CID 82384775

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 69466097) is 2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is c1ccc(CN2CCN3CC(COCCCN4CCCCC4)CCC3C2)cc1.
What is the InChIKey of 2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is RYZAHRUUMYWAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O/c1-3-8-22(9-4-1)18-26-15-16-27-19-23(10-11-24(27)20-26)21-28-17-7-14-25-12-5-2-6-13-25/h1,3-4,8-9,23-24H,2,5-7,10-21H2.
What are the key properties of 2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 385.60 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 69466097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).