2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol

C13H24N2O — CID 79934886

IUPAC2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol
SMILESOC(CN1CCN2CCCCC2C1)C1CC1
InChIInChI=1S/C13H24N2O/c16-13(11-4-5-11)10-14-7-8-15-6-2-1-3-12(15)9-14/h11-13,16H,1-10H2
InChIKeyZESLBAXDSJCKNY-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.93
Rot. Bonds3

About 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol (PubChem CID 79934886) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol
PubChem CID79934886
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol
SMILESOC(CN1CCN2CCCCC2C1)C1CC1
InChIInChI=1S/C13H24N2O/c16-13(11-4-5-11)10-14-7-8-15-6-2-1-3-12(15)9-14/h11-13,16H,1-10H2
InChIKeyZESLBAXDSJCKNY-UHFFFAOYSA-N
XLogP0.93
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol
CID 79943771
(2S)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-ol
CID 103935255
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropyl-N-ethylethanamine
CID 79932111
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992152
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methoxypentan-2-amine
CID 81102152
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-methylpentan-2-amine
CID 79935985
2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934926
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(dicyclopropylmethyl)ethanamine
CID 79917075
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-methoxyphenyl)ethanol
CID 115824259
(2S)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 103934754
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethoxypropanoic acid
CID 79924761
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-3-methylbutan-1-amine
CID 79935214

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol?
The IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol (CID 79934886) is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol.
What is the SMILES notation for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol?
The canonical SMILES for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol is OC(CN1CCN2CCCCC2C1)C1CC1.
What is the InChIKey of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol?
The InChIKey is ZESLBAXDSJCKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-13(11-4-5-11)10-14-7-8-15-6-2-1-3-12(15)9-14/h11-13,16H,1-10H2.
What are the key properties of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol?
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol has a molecular weight of 224.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol is sourced from PubChem (CID 79934886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).