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

C15H30N2O2 — CID 79934926

IUPAC2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCOC(CCN1CCN2CCCCC2C1)OCC
InChIInChI=1S/C15H30N2O2/c1-3-18-15(19-4-2)8-10-16-11-12-17-9-6-5-7-14(17)13-16/h14-15H,3-13H2,1-2H3
InChIKeySROKOCHCPBJPKM-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.95
Rot. Bonds7

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

2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79934926) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79934926
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCOC(CCN1CCN2CCCCC2C1)OCC
InChIInChI=1S/C15H30N2O2/c1-3-18-15(19-4-2)8-10-16-11-12-17-9-6-5-7-14(17)13-16/h14-15H,3-13H2,1-2H3
InChIKeySROKOCHCPBJPKM-UHFFFAOYSA-N
XLogP1.95
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943736
1-cyclopentyl-4-(3,3-diethoxypropyl)piperazine
CID 63629128
2-(2-ethoxyethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115824243
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethoxypropanoic acid
CID 79924761
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methylbutan-2-amine
CID 79932112
2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935954
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(dicyclopropylmethyl)ethanamine
CID 79917075
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)butan-1-ol
CID 79924497
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol
CID 79934886
2-(4-methoxybutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115277631
2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+)
CID 23593660
2-[(4-ethylcyclohexyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79930234

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79934926) is 2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CCOC(CCN1CCN2CCCCC2C1)OCC.
What is the InChIKey of 2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is SROKOCHCPBJPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-18-15(19-4-2)8-10-16-11-12-17-9-6-5-7-14(17)13-16/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 270.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79934926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).